(1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol

C14H24O — CID 51032002

IUPAC(1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol
SMILESC=C[C@@H](C)[C@@H](O)C1=C(C)CCCC1(C)C
InChIInChI=1S/C14H24O/c1-6-10(2)13(15)12-11(3)8-7-9-14(12,4)5/h6,10,13,15H,1,7-9H2,2-5H3/t10-,13-/m1/s1
InChIKeyCZMSAIRWWTUKED-ZWNOBZJWSA-N
MW208.34 g/mol
LogP3.70
Rot. Bonds3

About (1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol

(1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol (PubChem CID 51032002) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol
PubChem CID51032002
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol
SMILESC=C[C@@H](C)[C@@H](O)C1=C(C)CCCC1(C)C
InChIInChI=1S/C14H24O/c1-6-10(2)13(15)12-11(3)8-7-9-14(12,4)5/h6,10,13,15H,1,7-9H2,2-5H3/t10-,13-/m1/s1
InChIKeyCZMSAIRWWTUKED-ZWNOBZJWSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,6,6-trimethylcyclohexen-1-yl)ethanol
CID 539545
(2,3,4,5,6-pentafluorophenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanol
CID 88961957
(Z,2S)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 76968694
(1E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 86310428
[(E)-5-iodosulfanyl-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl] thiohypoiodite
CID 142159901
(2,4,5-trimethoxy-3-propan-2-ylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanol
CID 102297278
5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one
CID 71336953
2,6,6-tri((113C)methyl)(1,2,3,4,5,6-13C6)cyclohexene-1-carbaldehyde
CID 11228964
(3R,4S)-4-hydroxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methyl]pentan-2-one
CID 14809640
2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]benzaldehyde
CID 59086530
ethane;2-[(2E)-penta-2,4-dien-2-yl]-3-(2,6,6-trimethylcyclohexen-1-yl)oxirane
CID 143285210
3-hydroxy-6,10-dimethyl-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-1,5,7,9,11-pentaen-4-one
CID 91509384

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol?
The IUPAC name of (1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol (CID 51032002) is (1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol.
What is the SMILES notation for (1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol?
The canonical SMILES for (1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol is C=C[C@@H](C)[C@@H](O)C1=C(C)CCCC1(C)C.
What is the InChIKey of (1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol?
The InChIKey is CZMSAIRWWTUKED-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H24O/c1-6-10(2)13(15)12-11(3)8-7-9-14(12,4)5/h6,10,13,15H,1,7-9H2,2-5H3/t10-,13-/m1/s1.
What are the key properties of (1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol?
(1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-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 (1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol is sourced from PubChem (CID 51032002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).