trans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol

C10H16O — CID 6428440

IUPACtrans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CCC(=C)[C@H](O)C1
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h9-11H,1,3-6H2,2H3/t9-,10-/m1/s1
InChIKeyPNVTXOFNJFHXOK-NXEZZACHSA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds1

About trans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol

trans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 6428440) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is trans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID6428440
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Nametrans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CCC(=C)[C@H](O)C1
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h9-11H,1,3-6H2,2H3/t9-,10-/m1/s1
InChIKeyPNVTXOFNJFHXOK-NXEZZACHSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.28
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 trans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of trans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol (CID 6428440) is trans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CCC(=C)[C@H](O)C1.
What is the InChIKey of trans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is PNVTXOFNJFHXOK-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h9-11H,1,3-6H2,2H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol?
trans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 6428440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).