1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane

C17H34 — CID 123990318

IUPAC1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane
SMILESCCCC1(C)CC1(C)C(C)CCCC(C)CC
InChIInChI=1S/C17H34/c1-7-12-16(5)13-17(16,6)15(4)11-9-10-14(3)8-2/h14-15H,7-13H2,1-6H3
InChIKeySRFWEGMSKHUOFD-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds8

About 1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane

1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane (PubChem CID 123990318) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane.

Molecular Properties

Compound Name1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane
PubChem CID123990318
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane
SMILESCCCC1(C)CC1(C)C(C)CCCC(C)CC
InChIInChI=1S/C17H34/c1-7-12-16(5)13-17(16,6)15(4)11-9-10-14(3)8-2/h14-15H,7-13H2,1-6H3
InChIKeySRFWEGMSKHUOFD-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R,7R)-3,7-dimethylnonane
CID 42626759
3-methylheptane;nickel
CID 158967838
3,9,13,27-tetramethylhentetracontane
CID 6430636
3,7,11,15-tetramethylpentatriacontane
CID 6431066
3,7,15-trimethylnonacosane
CID 6430417
1,1,2-trimethyl-2-pentan-2-ylcyclopropane
CID 123201707
hexane;3-methylnonane
CID 173294071
3-ethyl-7-methylnonane
CID 526426
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methylheptane;octane
CID 144782281
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane?
The IUPAC name of 1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane (CID 123990318) is 1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane.
What is the SMILES notation for 1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane?
The canonical SMILES for 1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane is CCCC1(C)CC1(C)C(C)CCCC(C)CC.
What is the InChIKey of 1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane?
The InChIKey is SRFWEGMSKHUOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-7-12-16(5)13-17(16,6)15(4)11-9-10-14(3)8-2/h14-15H,7-13H2,1-6H3.
What are the key properties of 1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane?
1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane has a molecular weight of 238.46 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(6-methyloctan-2-yl)-2-propylcyclopropane is sourced from PubChem (CID 123990318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).