(1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol

C14H24O — CID 101485697

IUPAC(1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol
SMILESC=C/C(C)=C\C[C@]1(C)[C@H](C)CCC[C@@H]1O
InChIInChI=1S/C14H24O/c1-5-11(2)9-10-14(4)12(3)7-6-8-13(14)15/h5,9,12-13,15H,1,6-8,10H2,2-4H3/b11-9-/t12-,13+,14-/m1/s1
InChIKeyKLWNPEAERXNVMH-MIARRUSLSA-N
MW208.34 g/mol
LogP3.70
Rot. Bonds3

About (1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol

(1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol (PubChem CID 101485697) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol
PubChem CID101485697
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol
SMILESC=C/C(C)=C\C[C@]1(C)[C@H](C)CCC[C@@H]1O
InChIInChI=1S/C14H24O/c1-5-11(2)9-10-14(4)12(3)7-6-8-13(14)15/h5,9,12-13,15H,1,6-8,10H2,2-4H3/b11-9-/t12-,13+,14-/m1/s1
InChIKeyKLWNPEAERXNVMH-MIARRUSLSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol?
The IUPAC name of (1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol (CID 101485697) is (1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol.
What is the SMILES notation for (1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol?
The canonical SMILES for (1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol is C=C/C(C)=C\C[C@]1(C)[C@H](C)CCC[C@@H]1O.
What is the InChIKey of (1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol?
The InChIKey is KLWNPEAERXNVMH-MIARRUSLSA-N. The full InChI is InChI=1S/C14H24O/c1-5-11(2)9-10-14(4)12(3)7-6-8-13(14)15/h5,9,12-13,15H,1,6-8,10H2,2-4H3/b11-9-/t12-,13+,14-/m1/s1.
What are the key properties of (1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol?
(1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol is sourced from PubChem (CID 101485697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).