hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol

C18H36O2 — CID 70304538

IUPAChept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(C)CC1O.CC=CCCCC.CO
InChIInChI=1S/C10H18O.C7H14.CH4O/c1-7(2)9-5-4-8(3)6-10(9)11;1-3-5-7-6-4-2;1-2/h8-11H,1,4-6H2,2-3H3;3,5H,4,6-7H2,1-2H3;2H,1H3
InChIKeyGHECHXXIKZOQCE-UHFFFAOYSA-N
MW284.48 g/mol
LogP4.72
Rot. Bonds4

About hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol

hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 70304538) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Namehept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID70304538
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Namehept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(C)CC1O.CC=CCCCC.CO
InChIInChI=1S/C10H18O.C7H14.CH4O/c1-7(2)9-5-4-8(3)6-10(9)11;1-3-5-7-6-4-2;1-2/h8-11H,1,4-6H2,2-3H3;3,5H,4,6-7H2,1-2H3;2H,1H3
InChIKeyGHECHXXIKZOQCE-UHFFFAOYSA-N
XLogP4.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
hept-2-ene;methanol
CID 135236025
2-but-1-en-2-yl-5-methylcyclohexan-1-ol
CID 85263712
(1S,2S,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol
CID 11446580
(2E,7E)-dodeca-2,7-diene
CID 173295735
1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane
CID 123864296
(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene
CID 159947786
pentadeca-2,10-diene
CID 174048350
(2R,3R,4S,5R)-4-hydroxy-3-[(E)-3-[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]but-2-enyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 167092964
(Z)-oct-2-ene
CID 5356796

Frequently Asked Questions

What is the IUPAC name of hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol (CID 70304538) is hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)C1CCC(C)CC1O.CC=CCCCC.CO.
What is the InChIKey of hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is GHECHXXIKZOQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C7H14.CH4O/c1-7(2)9-5-4-8(3)6-10(9)11;1-3-5-7-6-4-2;1-2/h8-11H,1,4-6H2,2-3H3;3,5H,4,6-7H2,1-2H3;2H,1H3.
What are the key properties of hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 284.48 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 70304538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).