(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol

C10H18O — CID 6553885

IUPAC(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1O
InChIInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1
InChIKeyZYTMANIQRDEHIO-UTLUCORTSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds1

About (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol

(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 6553885) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID6553885
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1O
InChIInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1
InChIKeyZYTMANIQRDEHIO-UTLUCORTSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
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 (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol (CID 6553885) is (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1O.
What is the InChIKey of (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is ZYTMANIQRDEHIO-UTLUCORTSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1.
What are the key properties of (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 6553885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).