2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol

C12H22O — CID 12555432

IUPAC2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol
SMILESCC(C)=C=CC(O)(C(C)C)C(C)C
InChIInChI=1S/C12H22O/c1-9(2)7-8-12(13,10(3)4)11(5)6/h8,10-11,13H,1-6H3
InChIKeyCKUGNHGHLMKJQM-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.15
Rot. Bonds3

About 2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol

2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol (PubChem CID 12555432) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol.

Molecular Properties

Compound Name2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol
PubChem CID12555432
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol
SMILESCC(C)=C=CC(O)(C(C)C)C(C)C
InChIInChI=1S/C12H22O/c1-9(2)7-8-12(13,10(3)4)11(5)6/h8,10-11,13H,1-6H3
InChIKeyCKUGNHGHLMKJQM-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,6-trimethylhepta-4,5-dien-3-ol
CID 12555430
N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine
CID 123293577
2,2,5-trimethylhexa-3,4-dienamide
CID 13070339
(3E)-5,5,8-trimethylnona-3,6,7-trien-2-one
CID 5363803
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2-sulfanylpropane-1,1,1-triol
CID 140982540
2,5,6-trimethylocta-2,3-diene
CID 123715918
2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate
CID 157467331
[(E)-2,2,5-trimethylhexa-3,4-dienylideneamino] acetate
CID 177383942
2,3-dimethylbutan-2-ol;titanium
CID 151633599
2,7-dimethylnona-2,3-diene
CID 123700198
(2S)-2-hydroxy-3-methylbutan-2-olate
CID 59952741

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol?
The IUPAC name of 2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol (CID 12555432) is 2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol.
What is the SMILES notation for 2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol?
The canonical SMILES for 2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol is CC(C)=C=CC(O)(C(C)C)C(C)C.
What is the InChIKey of 2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol?
The InChIKey is CKUGNHGHLMKJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)7-8-12(13,10(3)4)11(5)6/h8,10-11,13H,1-6H3.
What are the key properties of 2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol?
2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol has a molecular weight of 182.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol is sourced from PubChem (CID 12555432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).