(1S,6S)-6-methoxycyclohept-3-en-1-ol

C8H14O2 — CID 15320141

IUPAC(1S,6S)-6-methoxycyclohept-3-en-1-ol
SMILESCO[C@H]1CC=CC[C@H](O)C1
InChIInChI=1S/C8H14O2/c1-10-8-5-3-2-4-7(9)6-8/h2-3,7-9H,4-6H2,1H3/t7-,8-/m0/s1
InChIKeyJRAXGBOSYMCRSG-YUMQZZPRSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds1

About (1S,6S)-6-methoxycyclohept-3-en-1-ol

(1S,6S)-6-methoxycyclohept-3-en-1-ol (PubChem CID 15320141) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1S,6S)-6-methoxycyclohept-3-en-1-ol.

Molecular Properties

Compound Name(1S,6S)-6-methoxycyclohept-3-en-1-ol
PubChem CID15320141
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1S,6S)-6-methoxycyclohept-3-en-1-ol
SMILESCO[C@H]1CC=CC[C@H](O)C1
InChIInChI=1S/C8H14O2/c1-10-8-5-3-2-4-7(9)6-8/h2-3,7-9H,4-6H2,1H3/t7-,8-/m0/s1
InChIKeyJRAXGBOSYMCRSG-YUMQZZPRSA-N
XLogP1.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
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 (1S,6S)-6-methoxycyclohept-3-en-1-ol?
The IUPAC name of (1S,6S)-6-methoxycyclohept-3-en-1-ol (CID 15320141) is (1S,6S)-6-methoxycyclohept-3-en-1-ol.
What is the SMILES notation for (1S,6S)-6-methoxycyclohept-3-en-1-ol?
The canonical SMILES for (1S,6S)-6-methoxycyclohept-3-en-1-ol is CO[C@H]1CC=CC[C@H](O)C1.
What is the InChIKey of (1S,6S)-6-methoxycyclohept-3-en-1-ol?
The InChIKey is JRAXGBOSYMCRSG-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O2/c1-10-8-5-3-2-4-7(9)6-8/h2-3,7-9H,4-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of (1S,6S)-6-methoxycyclohept-3-en-1-ol?
(1S,6S)-6-methoxycyclohept-3-en-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-6-methoxycyclohept-3-en-1-ol is sourced from PubChem (CID 15320141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).