2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane

C19H36 — CID 142520619

IUPAC2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane
SMILESCCCC(CCC)C(C)CC(C)C1CC2(CCC2)C1
InChIInChI=1S/C19H36/c1-5-8-17(9-6-2)15(3)12-16(4)18-13-19(14-18)10-7-11-19/h15-18H,5-14H2,1-4H3
InChIKeyFCSFOISDQYZYFW-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.45
Rot. Bonds8

About 2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane

2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane (PubChem CID 142520619) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane.

Molecular Properties

Compound Name2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane
PubChem CID142520619
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane
SMILESCCCC(CCC)C(C)CC(C)C1CC2(CCC2)C1
InChIInChI=1S/C19H36/c1-5-8-17(9-6-2)15(3)12-16(4)18-13-19(14-18)10-7-11-19/h15-18H,5-14H2,1-4H3
InChIKeyFCSFOISDQYZYFW-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane
CID 90697710
6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine
CID 167083004
8-methyl-3-propan-2-yl-9-[2-[(7R)-spiro[3.4]octan-7-yl]propyl]-8-azaspiro[4.5]decane
CID 169125634
2,8-di(propan-2-yl)-8-azaspiro[3.6]decane
CID 170522762
2-ethylspiro[3.3]heptane
CID 123395058
2-hydroxy-6-pentan-2-yl-2-azaspiro[3.4]octane
CID 156527484
4,5-dimethylheptan-2-ylcyclobutane
CID 123660607
2-pentan-2-ylspiro[2.2]pentane
CID 91467438
(8R)-6-methyl-8-propan-2-yl-6-azaspiro[3.5]nonane
CID 129290560
3-(9-ethyl-5,6-dimethylpentadecan-8-yl)-1,1-dimethylcycloheptane
CID 123304712
2-propan-2-ylpentylcyclobutane
CID 161147859
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane?
The IUPAC name of 2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane (CID 142520619) is 2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane.
What is the SMILES notation for 2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane?
The canonical SMILES for 2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane is CCCC(CCC)C(C)CC(C)C1CC2(CCC2)C1.
What is the InChIKey of 2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane?
The InChIKey is FCSFOISDQYZYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-5-8-17(9-6-2)15(3)12-16(4)18-13-19(14-18)10-7-11-19/h15-18H,5-14H2,1-4H3.
What are the key properties of 2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane?
2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane has a molecular weight of 264.50 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane is sourced from PubChem (CID 142520619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).