1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane

C17H28 — CID 143264114

IUPAC1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane
SMILESC=CCC(=C)CCC1CCCC2(C)CC2CC1
InChIInChI=1S/C17H28/c1-4-6-14(2)8-9-15-7-5-12-17(3)13-16(17)11-10-15/h4,15-16H,1-2,5-13H2,3H3
InChIKeyHAUKWZXDJVRUOK-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.51
Rot. Bonds5

About 1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane

1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane (PubChem CID 143264114) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane.

Molecular Properties

Compound Name1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane
PubChem CID143264114
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane
SMILESC=CCC(=C)CCC1CCCC2(C)CC2CC1
InChIInChI=1S/C17H28/c1-4-6-14(2)8-9-15-7-5-12-17(3)13-16(17)11-10-15/h4,15-16H,1-2,5-13H2,3H3
InChIKeyHAUKWZXDJVRUOK-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.51
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

1,1-Dimethyl-2-pent-4-enylcyclopropane
CID 134864601
Spiro[bicyclo[6.1.0]nonane-9,1'-cyclopentane], 3'-methylene-
CID 556715
trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane
CID 10375333
(2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane
CID 59650602
3-[1-Ethyl-2-(2-methylprop-2-enyl)cyclopropyl]-3-propan-2-ylcyclopropene
CID 90685610
2,6,7,7,8-Pentamethylundeca-1,10-diene
CID 90721351
1-Methyl-1-non-8-en-2-ylcyclopropane
CID 90735561
4-[3,4-Dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane
CID 90758965
1-But-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane
CID 90808921
1-Butyl-2-ethenyl-1-(4,6,6-trimethyloctyl)cyclopropane
CID 90854279
1-(2,2-Dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane
CID 90917388
2-Ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane
CID 90923060

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane?
The IUPAC name of 1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane (CID 143264114) is 1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane.
What is the SMILES notation for 1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane?
The canonical SMILES for 1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane is C=CCC(=C)CCC1CCCC2(C)CC2CC1.
What is the InChIKey of 1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane?
The InChIKey is HAUKWZXDJVRUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-4-6-14(2)8-9-15-7-5-12-17(3)13-16(17)11-10-15/h4,15-16H,1-2,5-13H2,3H3.
What are the key properties of 1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane?
1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane has a molecular weight of 232.41 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane is sourced from PubChem (CID 143264114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).