2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol

C20H32O — CID 175829294

IUPAC2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol
SMILESC=C(C)C1CCC(C)C(C2C(C(C)C)=CC=C(C)C2O)C1
InChIInChI=1S/C20H32O/c1-12(2)16-9-7-14(5)18(11-16)19-17(13(3)4)10-8-15(6)20(19)21/h8,10,13-14,16,18-21H,1,7,9,11H2,2-6H3
InChIKeyBFDCQMDWOXZBHY-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.13
Rot. Bonds3

About 2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol

2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol (PubChem CID 175829294) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol
PubChem CID175829294
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol
SMILESC=C(C)C1CCC(C)C(C2C(C(C)C)=CC=C(C)C2O)C1
InChIInChI=1S/C20H32O/c1-12(2)16-9-7-14(5)18(11-16)19-17(13(3)4)10-8-15(6)20(19)21/h8,10,13-14,16,18-21H,1,7,9,11H2,2-6H3
InChIKeyBFDCQMDWOXZBHY-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.13
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

(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
CID 165066222
(3R,3aS,5S,8aR)-3-methyl-8-methylidene-5-prop-1-en-2-yl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene
CID 102156162
(1E,5E,8R,10R)-1,5-dimethyl-8,10-bis(prop-1-en-2-yl)cyclododeca-1,5-diene
CID 14192378
[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol
CID 130848342
4-methyl-6-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol
CID 154134033
(4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene
CID 101382621
carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum
CID 164901558
(1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol
CID 102066424
(4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 58067904
N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide
CID 102035360
[(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
CID 102064475
1-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]peroxyethanol
CID 140938951

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol (CID 175829294) is 2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol is C=C(C)C1CCC(C)C(C2C(C(C)C)=CC=C(C)C2O)C1.
What is the InChIKey of 2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol?
The InChIKey is BFDCQMDWOXZBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-12(2)16-9-7-14(5)18(11-16)19-17(13(3)4)10-8-15(6)20(19)21/h8,10,13-14,16,18-21H,1,7,9,11H2,2-6H3.
What are the key properties of 2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol?
2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyl-5-prop-1-en-2-ylcyclohexyl)-5-propan-2-ylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175829294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).