1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol

C15H23ClO — CID 90964728

IUPAC1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
SMILESCC1=C(C=CC(C)(O)C=CCl)C(C)(C)CCC1
InChIInChI=1S/C15H23ClO/c1-12-6-5-8-14(2,3)13(12)7-9-15(4,17)10-11-16/h7,9-11,17H,5-6,8H2,1-4H3
InChIKeyXGLKQJIJIYUSJS-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.57
Rot. Bonds3

About 1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol

1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol (PubChem CID 90964728) has the molecular formula C15H23ClO and a molecular weight of 254.80 g/mol. Its IUPAC name is 1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol.

Molecular Properties

Compound Name1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
PubChem CID90964728
Molecular FormulaC15H23ClO
Molecular Weight254.80 g/mol
Exact Mass254.14
IUPAC Name1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
SMILESCC1=C(C=CC(C)(O)C=CCl)C(C)(C)CCC1
InChIInChI=1S/C15H23ClO/c1-12-6-5-8-14(2,3)13(12)7-9-15(4,17)10-11-16/h7,9-11,17H,5-6,8H2,1-4H3
InChIKeyXGLKQJIJIYUSJS-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol with MolForge

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Related Compounds

(1E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 86310428
(1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 100973619
(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 10632627
(E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 7312693
(Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol
CID 98565733
(E)-2-pyridin-4-yl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 162398954
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 77238031
(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid
CID 5383969
3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
CID 590095
2,6,6-tri((113C)methyl)(1,2,3,4,5,6-13C6)cyclohexene-1-carbaldehyde
CID 11228964
(2Z,4E)-3-chloro-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
CID 10776362
3-methyl-5-phenyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 85152034

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol?
The IUPAC name of 1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol (CID 90964728) is 1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol.
What is the SMILES notation for 1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol?
The canonical SMILES for 1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol is CC1=C(C=CC(C)(O)C=CCl)C(C)(C)CCC1.
What is the InChIKey of 1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol?
The InChIKey is XGLKQJIJIYUSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO/c1-12-6-5-8-14(2,3)13(12)7-9-15(4,17)10-11-16/h7,9-11,17H,5-6,8H2,1-4H3.
What are the key properties of 1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol?
1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol has a molecular weight of 254.80 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol is sourced from PubChem (CID 90964728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).