3-ethenyl-2,5,5-trimethylhexan-2-ol

C11H22O — CID 134993406

IUPAC3-ethenyl-2,5,5-trimethylhexan-2-ol
SMILESC=CC(CC(C)(C)C)C(C)(C)O
InChIInChI=1S/C11H22O/c1-7-9(11(5,6)12)8-10(2,3)4/h7,9,12H,1,8H2,2-6H3
InChIKeyCQOUQFAIPJNICL-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.00
Rot. Bonds3

About 3-ethenyl-2,5,5-trimethylhexan-2-ol

3-ethenyl-2,5,5-trimethylhexan-2-ol (PubChem CID 134993406) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-ethenyl-2,5,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name3-ethenyl-2,5,5-trimethylhexan-2-ol
PubChem CID134993406
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-ethenyl-2,5,5-trimethylhexan-2-ol
SMILESC=CC(CC(C)(C)C)C(C)(C)O
InChIInChI=1S/C11H22O/c1-7-9(11(5,6)12)8-10(2,3)4/h7,9,12H,1,8H2,2-6H3
InChIKeyCQOUQFAIPJNICL-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.00
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

4-Methyl-1-hepten-4-ol
CID 136921
4-Propylhept-1-en-4-ol
CID 551382
3-Tert-butyl-2,2,4-trimethylhex-5-en-3-ol
CID 10888893
4-Propyl-1,6-heptadien-4-ol
CID 142990
2-Methylhept-6-en-2-ol
CID 12712367
2,3-Dimethyl-5-hexen-2-ol
CID 85958390
3,4-Dimethyl-5-hexen-3-ol
CID 552025
3-Ethylhept-6-en-3-ol
CID 25147139
3-Ethyloct-7-en-3-ol
CID 57261069
(3R)-2,3-dimethylhex-5-en-3-ol
CID 59910936
2,3-Dimethyl-5-hexen-3-ol
CID 140557
2,3,4-Trimethyl-5-hexen-3-ol
CID 141427

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,5,5-trimethylhexan-2-ol?
The IUPAC name of 3-ethenyl-2,5,5-trimethylhexan-2-ol (CID 134993406) is 3-ethenyl-2,5,5-trimethylhexan-2-ol.
What is the SMILES notation for 3-ethenyl-2,5,5-trimethylhexan-2-ol?
The canonical SMILES for 3-ethenyl-2,5,5-trimethylhexan-2-ol is C=CC(CC(C)(C)C)C(C)(C)O.
What is the InChIKey of 3-ethenyl-2,5,5-trimethylhexan-2-ol?
The InChIKey is CQOUQFAIPJNICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-7-9(11(5,6)12)8-10(2,3)4/h7,9,12H,1,8H2,2-6H3.
What are the key properties of 3-ethenyl-2,5,5-trimethylhexan-2-ol?
3-ethenyl-2,5,5-trimethylhexan-2-ol has a molecular weight of 170.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,5,5-trimethylhexan-2-ol is sourced from PubChem (CID 134993406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).