1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane

C19H32 — CID 163580684

IUPAC1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane
SMILESC=C1CCCCCCC2(CC3CCCC3)CC2CC1
InChIInChI=1S/C19H32/c1-16-8-4-2-3-7-13-19(15-18(19)12-11-16)14-17-9-5-6-10-17/h17-18H,1-15H2
InChIKeyGHHHNGSOZXUASJ-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.26
Rot. Bonds2

About 1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane

1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane (PubChem CID 163580684) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane
PubChem CID163580684
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane
SMILESC=C1CCCCCCC2(CC3CCCC3)CC2CC1
InChIInChI=1S/C19H32/c1-16-8-4-2-3-7-13-19(15-18(19)12-11-16)14-17-9-5-6-10-17/h17-18H,1-15H2
InChIKeyGHHHNGSOZXUASJ-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Sabinene
CID 18818
(+)-Sabinene
CID 10887971
(-)-Sabinene
CID 11051711
cis-Sabinene
CID 25086832
(5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
CID 6429260
1-Pentene, 5-(2,2-dimethylcyclopropyl)-2-methyl-4-methylene-
CID 535149
(1S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
CID 129659335
13-Methylidenespiro[4.14]nonadecane
CID 163657411
(3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane
CID 163674453
1,5-Dimethyl-6-methylenespiro(2.4)heptane
CID 556472
1,2,4,5-Tetramethyl-6-methylenespiro[2.4]heptane
CID 564673
7-Methylidene-2-prop-1-en-2-ylspiro[2.4]heptane
CID 85931635

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane?
The IUPAC name of 1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane (CID 163580684) is 1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane.
What is the SMILES notation for 1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane?
The canonical SMILES for 1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane is C=C1CCCCCCC2(CC3CCCC3)CC2CC1.
What is the InChIKey of 1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane?
The InChIKey is GHHHNGSOZXUASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-16-8-4-2-3-7-13-19(15-18(19)12-11-16)14-17-9-5-6-10-17/h17-18H,1-15H2.
What are the key properties of 1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane?
1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane has a molecular weight of 260.46 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-8-methylidenebicyclo[9.1.0]dodecane is sourced from PubChem (CID 163580684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).