2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol

C12H20O — CID 123183468

IUPAC2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C1=CC=CC(C(C)C)C1O
InChIInChI=1S/C12H20O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-10,12-13H,1-4H3
InChIKeyBCXWAKSRTIWDIK-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.77
Rot. Bonds2

About 2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol

2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 123183468) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
PubChem CID123183468
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C1=CC=CC(C(C)C)C1O
InChIInChI=1S/C12H20O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-10,12-13H,1-4H3
InChIKeyBCXWAKSRTIWDIK-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 118155001
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CID 121260753
5-ethyl-1-propan-2-ylcyclopenta-1,3-diene
CID 169222891
dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 174388271
1-methyl-3-propan-2-yl-2H-pyridin-2-ol
CID 135127171
N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine
CID 45096214
6-methyl-5-propan-2-ylcyclohexa-2,4-diene-1-carbonitrile
CID 90706145
(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol
CID 58878675
2-fluoro-3-propan-2-yl-1,2-dihydropyridine
CID 144628803
methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 21130759
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
(1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol
CID 101152941

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol (CID 123183468) is 2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol is CC(C)C1=CC=CC(C(C)C)C1O.
What is the InChIKey of 2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is BCXWAKSRTIWDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-10,12-13H,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol?
2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 123183468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).