cis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol

C15H28O4 — CID 157288640

IUPACcis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol
SMILESCOC1CCC=C(C)C1O.CO[C@H]1CCCC[C@H]1O
InChIInChI=1S/C8H14O2.C7H14O2/c1-6-4-3-5-7(10-2)8(6)9;1-9-7-5-3-2-4-6(7)8/h4,7-9H,3,5H2,1-2H3;6-8H,2-5H2,1H3/t;6-,7+/m.1/s1
InChIKeyBANLXBKOOILCBT-LYZYBISQSA-N
MW272.38 g/mol
LogP2.04
Rot. Bonds2

About cis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol

cis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol (PubChem CID 157288640) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is cis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol
PubChem CID157288640
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Namecis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol
SMILESCOC1CCC=C(C)C1O.CO[C@H]1CCCC[C@H]1O
InChIInChI=1S/C8H14O2.C7H14O2/c1-6-4-3-5-7(10-2)8(6)9;1-9-7-5-3-2-4-6(7)8/h4,7-9H,3,5H2,1-2H3;6-8H,2-5H2,1H3/t;6-,7+/m.1/s1
InChIKeyBANLXBKOOILCBT-LYZYBISQSA-N
XLogP2.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 cis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol?
The IUPAC name of cis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol (CID 157288640) is cis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol?
The canonical SMILES for cis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol is COC1CCC=C(C)C1O.CO[C@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol?
The InChIKey is BANLXBKOOILCBT-LYZYBISQSA-N. The full InChI is InChI=1S/C8H14O2.C7H14O2/c1-6-4-3-5-7(10-2)8(6)9;1-9-7-5-3-2-4-6(7)8/h4,7-9H,3,5H2,1-2H3;6-8H,2-5H2,1H3/t;6-,7+/m.1/s1.
What are the key properties of cis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol?
cis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol has a molecular weight of 272.38 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methoxycyclohexan-1-ol;6-methoxy-2-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 157288640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).