5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol

C14H24O — CID 122522261

IUPAC5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol
SMILESCC(C)=CCCC(O)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C14H24O/c1-11(2)5-4-6-14(15)13-9-7-12(3)8-10-13/h5,7,13-15H,4,6,8-10H2,1-3H3/t13-,14?/m1/s1
InChIKeyGRWNCQTXRVSTRT-KWCCSABGSA-N
MW208.34 g/mol
LogP3.84
Rot. Bonds4

About 5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol

5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol (PubChem CID 122522261) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol.

Molecular Properties

Compound Name5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol
PubChem CID122522261
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol
SMILESCC(C)=CCCC(O)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C14H24O/c1-11(2)5-4-6-14(15)13-9-7-12(3)8-10-13/h5,7,13-15H,4,6,8-10H2,1-3H3/t13-,14?/m1/s1
InChIKeyGRWNCQTXRVSTRT-KWCCSABGSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol?
The IUPAC name of 5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol (CID 122522261) is 5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol.
What is the SMILES notation for 5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol?
The canonical SMILES for 5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol is CC(C)=CCCC(O)[C@@H]1CC=C(C)CC1.
What is the InChIKey of 5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol?
The InChIKey is GRWNCQTXRVSTRT-KWCCSABGSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)5-4-6-14(15)13-9-7-12(3)8-10-13/h5,7,13-15H,4,6,8-10H2,1-3H3/t13-,14?/m1/s1.
What are the key properties of 5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol?
5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol is sourced from PubChem (CID 122522261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).