1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane

C76H158 — CID 163827956

About 1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane

1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane (PubChem CID 163827956) has the molecular formula C76H158 and a molecular weight of 1072.10 g/mol. Its IUPAC name is 1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane.

Molecular Properties

• Compound Name: 1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane
• PubChem CID: 163827956
• Molecular Formula: C76H158
• Molecular Weight: 1072.10 g/mol
• Exact Mass: 1071.24
• IUPAC Name: 1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane
• SMILES: CC1(C)CCC1.CC1CC(C)C1.CC1CC1(C)C.CC1CCCC1.CC1CC[C@H]1C.CCC1CC1C.CCC1CCC1.CCCCC(C)C.CCCCC(C)C.CCCCCCC.CCC[C@H](C)CC.C[C@H]1CC12CC2
• InChI: InChI=1S/4C7H16.C6H10.7C6H12/c2*1-4-5-6-7(2)3;1-4-6-7(3)5-2;1-3-5-7-6-4-2;1-5-4-6(5)2-3-6;1-5-4-6(5,2)3;1-5-3-6(2)4-5;1-6(2)4-3-5-6;1-5-3-4-6(5)2;1-6-4-2-3-5-6;1-3-6-4-5(6)2;1-2-6-4-3-5-6/h3*7H,4-6H2,1-3H3;3-7H2,1-2H3;5H,2-4H2,1H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;3-5H2,1-2H3;5-6H,3-4H2,1-2H3;6H,2-5H2,1H3;5-6H,3-4H2,1-2H3;6H,2-5H2,1H3/t;;7-;;5-;;;;5-,6?;;;/m..1.0...1.../s1
• InChIKey: OBEBGTZSRHEMHD-PLKDPCNJSA-N
• XLogP: 28.08
• TPSA: 0.00 Ų
• Rotatable Bonds: 15
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1072.10
LogP ≤ 5	28.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane?

The IUPAC name of 1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane (CID 163827956) is 1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane.

What is the SMILES notation for 1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane?

The canonical SMILES for 1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane is CC1(C)CCC1.CC1CC(C)C1.CC1CC1(C)C.CC1CCCC1.CC1CC[C@H]1C.CCC1CC1C.CCC1CCC1.CCCCC(C)C.CCCCC(C)C.CCCCCCC.CCC[C@H](C)CC.C[C@H]1CC12CC2.

What is the InChIKey of 1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane?

The InChIKey is OBEBGTZSRHEMHD-PLKDPCNJSA-N. The full InChI is InChI=1S/4C7H16.C6H10.7C6H12/c2*1-4-5-6-7(2)3;1-4-6-7(3)5-2;1-3-5-7-6-4-2;1-5-4-6(5)2-3-6;1-5-4-6(5,2)3;1-5-3-6(2)4-5;1-6(2)4-3-5-6;1-5-3-4-6(5)2;1-6-4-2-3-5-6;1-3-6-4-5(6)2;1-2-6-4-3-5-6/h3*7H,4-6H2,1-3H3;3-7H2,1-2H3;5H,2-4H2,1H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;3-5H2,1-2H3;5-6H,3-4H2,1-2H3;6H,2-5H2,1H3;5-6H,3-4H2,1-2H3;6H,2-5H2,1H3/t;;7-;;5-;;;;5-,6?;;;/m..1.0...1.../s1.

What are the key properties of 1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane?

1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane has a molecular weight of 1072.10 g/mol, XLogP of 28.08, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane is sourced from PubChem (CID 163827956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).