3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol

C10H20O — CID 23384826

IUPAC3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol
SMILESC=CC(C)(C)C(CO)C(C)C
InChIInChI=1S/C10H20O/c1-6-10(4,5)9(7-11)8(2)3/h6,8-9,11H,1,7H2,2-5H3
InChIKeyBNEOSAVUHOVLDV-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.46
Rot. Bonds4

About 3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol

3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol (PubChem CID 23384826) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol
PubChem CID23384826
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol
SMILESC=CC(C)(C)C(CO)C(C)C
InChIInChI=1S/C10H20O/c1-6-10(4,5)9(7-11)8(2)3/h6,8-9,11H,1,7H2,2-5H3
InChIKeyBNEOSAVUHOVLDV-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.46
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

2,2-Dimethylhex-5-en-1-ol
CID 10240821
2-Ethylhex-5-en-1-ol
CID 10510876
4,4-Dimethyl-5-hexen-1-ol
CID 12511056
(2R)-2-propylpent-4-en-1-ol
CID 102443891
2-Ethyl-2-methylpent-4-en-1-ol
CID 126972063
(2R)-2-ethylhex-5-en-1-ol
CID 11094637
2-Propan-2-yl-2-prop-2-enylpropane-1,3-diol
CID 13157915
2,4,4-Trimethyl-3-hydroxymethyl-1-pentene
CID 20394916
3,4,4-Trimethyl-3-vinyl-hept-6-en-1-ol
CID 71733402
4-Fluoro-3,3,4-trimethylhex-5-en-2-ol
CID 166669070
(2S)-2-propan-2-ylpent-4-en-1-ol
CID 15870046
2-Isopropylpent-4-en-1-ol
CID 21580435

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol?
The IUPAC name of 3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol (CID 23384826) is 3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol.
What is the SMILES notation for 3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol?
The canonical SMILES for 3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol is C=CC(C)(C)C(CO)C(C)C.
What is the InChIKey of 3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol?
The InChIKey is BNEOSAVUHOVLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-6-10(4,5)9(7-11)8(2)3/h6,8-9,11H,1,7H2,2-5H3.
What are the key properties of 3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol?
3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-propan-2-ylpent-4-en-1-ol is sourced from PubChem (CID 23384826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).