(1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol

C12H20O — CID 134833554

IUPAC(1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@]1(O)CC[C@H](C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-8(2)12(13)7-6-9(3)10(4)11(12)5/h9,13H,1,6-7H2,2-5H3/t9-,12+/m0/s1
InChIKeyFPPZADOKKNSPPI-JOYOIKCWSA-N
MW180.29 g/mol
LogP3.06
Rot. Bonds1

About (1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol

(1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 134833554) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID134833554
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@]1(O)CC[C@H](C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-8(2)12(13)7-6-9(3)10(4)11(12)5/h9,13H,1,6-7H2,2-5H3/t9-,12+/m0/s1
InChIKeyFPPZADOKKNSPPI-JOYOIKCWSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(L)-alpha-terpineol
CID 443162
Alpha-Terpineol
CID 17100
Bisabolol
CID 1549992
Levomenol
CID 442343
(+)-alpha-Terpineol
CID 442501
p-Menth-3-en-1-ol
CID 11468
beta-Bisabolol
CID 12300146
alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
CID 10586
alpha-Bisabolol, (+)-epi-
CID 1201551
2,4,8-Trimethyl-7-nonen-2-ol
CID 14614417
(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11105550
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4R)-rel-
CID 122485

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 134833554) is (1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol is C=C(C)[C@]1(O)CC[C@H](C)C(C)=C1C.
What is the InChIKey of (1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is FPPZADOKKNSPPI-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H20O/c1-8(2)12(13)7-6-9(3)10(4)11(12)5/h9,13H,1,6-7H2,2-5H3/t9-,12+/m0/s1.
What are the key properties of (1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol?
(1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 134833554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).