ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane

C18H32 — CID 142933953

IUPACethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane
SMILESC=CCCC(=C)CC1CCCCC1C(=C)C.CC
InChIInChI=1S/C16H26.C2H6/c1-5-6-9-14(4)12-15-10-7-8-11-16(15)13(2)3;1-2/h5,15-16H,1-2,4,6-12H2,3H3;1-2H3
InChIKeyAJJRDTOJHNUNMI-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.31
Rot. Bonds6

About ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane

ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane (PubChem CID 142933953) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Nameethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane
PubChem CID142933953
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Nameethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane
SMILESC=CCCC(=C)CC1CCCCC1C(=C)C.CC
InChIInChI=1S/C16H26.C2H6/c1-5-6-9-14(4)12-15-10-7-8-11-16(15)13(2)3;1-2/h5,15-16H,1-2,4,6-12H2,3H3;1-2H3
InChIKeyAJJRDTOJHNUNMI-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-1-prop-1-en-2-yl-2-prop-2-enylcyclopentane
CID 11073596
cis-(1R,2S)-2-(2-oxohex-5-enyl)cyclohexane-1-carboxylic acid
CID 58070902
ethane;5-methylideneoct-1-ene;2-methylprop-1-ene
CID 142462861
5-methylidenehept-1-ene
CID 54202269
2-methyl-4-methylideneocta-1,7-diene
CID 140752999
cis-(1R,2R)-2-prop-1-en-2-ylcyclohexane-1-carbaldehyde
CID 102109585
ethane;2-methylhexa-1,5-diene;molecular hydrogen
CID 144513072
trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane
CID 163550244
(1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol
CID 131042197
1-[(1R,2S)-2-[(2E)-penta-2,4-dien-2-yl]cyclohexyl]but-3-en-2-one
CID 10966003
trans-ethyl (1R,3R)-3-but-3-enyl-2-hydroxycyclohexane-1-carboxylate
CID 11042434
1-(2-ethylcyclohexyl)-2-methylprop-2-en-1-one
CID 58325604

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane?
The IUPAC name of ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane (CID 142933953) is ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane?
The canonical SMILES for ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane is C=CCCC(=C)CC1CCCCC1C(=C)C.CC.
What is the InChIKey of ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane?
The InChIKey is AJJRDTOJHNUNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26.C2H6/c1-5-6-9-14(4)12-15-10-7-8-11-16(15)13(2)3;1-2/h5,15-16H,1-2,4,6-12H2,3H3;1-2H3.
What are the key properties of ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane?
ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane has a molecular weight of 248.45 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylidenehex-5-enyl)-2-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 142933953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).