trans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol

C15H24O2 — CID 135055988

IUPACtrans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol
SMILESC=CCO[C@]1(CCC(=C)C)CCC(=C)C[C@H]1O
InChIInChI=1S/C15H24O2/c1-5-10-17-15(8-6-12(2)3)9-7-13(4)11-14(15)16/h5,14,16H,1-2,4,6-11H2,3H3/t14-,15-/m1/s1
InChIKeyQHIRNTOLZLWLPU-HUUCEWRRSA-N
MW236.35 g/mol
LogP3.39
Rot. Bonds6

About trans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol

trans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol (PubChem CID 135055988) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol
PubChem CID135055988
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Nametrans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol
SMILESC=CCO[C@]1(CCC(=C)C)CCC(=C)C[C@H]1O
InChIInChI=1S/C15H24O2/c1-5-10-17-15(8-6-12(2)3)9-7-13(4)11-14(15)16/h5,14,16H,1-2,4,6-11H2,3H3/t14-,15-/m1/s1
InChIKeyQHIRNTOLZLWLPU-HUUCEWRRSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.39
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 trans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol (CID 135055988) is trans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol is C=CCO[C@]1(CCC(=C)C)CCC(=C)C[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol?
The InChIKey is QHIRNTOLZLWLPU-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-10-17-15(8-6-12(2)3)9-7-13(4)11-14(15)16/h5,14,16H,1-2,4,6-11H2,3H3/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol?
trans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methylbut-3-enyl)-5-methylidene-2-prop-2-enoxycyclohexan-1-ol is sourced from PubChem (CID 135055988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).