(1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol

C14H24O2 — CID 146683369

IUPAC(1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol
SMILESCC(O)/C=C/C[C@@H](C)[C@H]1C=C[C@](C)(O)CC1
InChIInChI=1S/C14H24O2/c1-11(5-4-6-12(2)15)13-7-9-14(3,16)10-8-13/h4,6-7,9,11-13,15-16H,5,8,10H2,1-3H3/b6-4+/t11-,12?,13+,14+/m1/s1
InChIKeyXBKAUOYYIOGLNF-SSHIVVFJSA-N
MW224.34 g/mol
LogP2.67
Rot. Bonds4

About (1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol

(1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol (PubChem CID 146683369) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol
PubChem CID146683369
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol
SMILESCC(O)/C=C/C[C@@H](C)[C@H]1C=C[C@](C)(O)CC1
InChIInChI=1S/C14H24O2/c1-11(5-4-6-12(2)15)13-7-9-14(3,16)10-8-13/h4,6-7,9,11-13,15-16H,5,8,10H2,1-3H3/b6-4+/t11-,12?,13+,14+/m1/s1
InChIKeyXBKAUOYYIOGLNF-SSHIVVFJSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol?
The IUPAC name of (1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol (CID 146683369) is (1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol is CC(O)/C=C/C[C@@H](C)[C@H]1C=C[C@](C)(O)CC1.
What is the InChIKey of (1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol?
The InChIKey is XBKAUOYYIOGLNF-SSHIVVFJSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(5-4-6-12(2)15)13-7-9-14(3,16)10-8-13/h4,6-7,9,11-13,15-16H,5,8,10H2,1-3H3/b6-4+/t11-,12?,13+,14+/m1/s1.
What are the key properties of (1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol?
(1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol has a molecular weight of 224.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-[(E,2R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 146683369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).