cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol

C12H22O — CID 101364468

IUPACcis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol
SMILESC=CC[C@H]1C(C)(C)CCC[C@]1(C)O
InChIInChI=1S/C12H22O/c1-5-7-10-11(2,3)8-6-9-12(10,4)13/h5,10,13H,1,6-9H2,2-4H3/t10-,12-/m0/s1
InChIKeyMUCPMLUKLCCGEU-JQWIXIFHSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds2

About cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol

cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol (PubChem CID 101364468) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol
PubChem CID101364468
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Namecis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol
SMILESC=CC[C@H]1C(C)(C)CCC[C@]1(C)O
InChIInChI=1S/C12H22O/c1-5-7-10-11(2,3)8-6-9-12(10,4)13/h5,10,13H,1,6-9H2,2-4H3/t10-,12-/m0/s1
InChIKeyMUCPMLUKLCCGEU-JQWIXIFHSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
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 cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol (CID 101364468) is cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol is C=CC[C@H]1C(C)(C)CCC[C@]1(C)O.
What is the InChIKey of cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol?
The InChIKey is MUCPMLUKLCCGEU-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H22O/c1-5-7-10-11(2,3)8-6-9-12(10,4)13/h5,10,13H,1,6-9H2,2-4H3/t10-,12-/m0/s1.
What are the key properties of cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol?
cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol is sourced from PubChem (CID 101364468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).