3,3-dimethyloct-1-en-7-yn-4-ol

C10H16O — CID 162405475

IUPAC3,3-dimethyloct-1-en-7-yn-4-ol
SMILESC#CCCC(O)C(C)(C)C=C
InChIInChI=1S/C10H16O/c1-5-7-8-9(11)10(3,4)6-2/h1,6,9,11H,2,7-8H2,3-4H3
InChIKeyHUUVXAAVHVBMCM-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds4

About 3,3-dimethyloct-1-en-7-yn-4-ol

3,3-dimethyloct-1-en-7-yn-4-ol (PubChem CID 162405475) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3,3-dimethyloct-1-en-7-yn-4-ol.

Molecular Properties

Compound Name3,3-dimethyloct-1-en-7-yn-4-ol
PubChem CID162405475
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3,3-dimethyloct-1-en-7-yn-4-ol
SMILESC#CCCC(O)C(C)(C)C=C
InChIInChI=1S/C10H16O/c1-5-7-8-9(11)10(3,4)6-2/h1,6,9,11H,2,7-8H2,3-4H3
InChIKeyHUUVXAAVHVBMCM-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Fluoro-7,7-dimethylundec-10-en-4-yn-3-ol
CID 141012200
2,2-Dimethylhept-6-en-3-ol
CID 12541916
6,6-Dimethylhept-1-en-4-ol
CID 13167008
(3S,4R)-3,6,6-trimethylhept-1-en-4-ol
CID 164669218
(3S)-4,4-dimethylhex-5-en-3-ol
CID 11506455
(3S)-2,2,4,4-tetramethylhex-5-en-3-ol
CID 11550051
4,4-Dimethylhex-5-en-3-ol
CID 11768590
5,5-Dimethylhept-1-en-4-ol
CID 12508212
10,10-Dimethyl-8-methylideneundec-5-yn-4-ol
CID 20276935
4-Ethenyl-4-methylhept-6-en-3-ol
CID 20501837
6,6-Dimethyl-3-methylidenehept-1-yn-4-ol
CID 57708345
(3R)-2,2,4,4-tetramethylhex-5-en-3-ol
CID 58380115

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyloct-1-en-7-yn-4-ol?
The IUPAC name of 3,3-dimethyloct-1-en-7-yn-4-ol (CID 162405475) is 3,3-dimethyloct-1-en-7-yn-4-ol.
What is the SMILES notation for 3,3-dimethyloct-1-en-7-yn-4-ol?
The canonical SMILES for 3,3-dimethyloct-1-en-7-yn-4-ol is C#CCCC(O)C(C)(C)C=C.
What is the InChIKey of 3,3-dimethyloct-1-en-7-yn-4-ol?
The InChIKey is HUUVXAAVHVBMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-5-7-8-9(11)10(3,4)6-2/h1,6,9,11H,2,7-8H2,3-4H3.
What are the key properties of 3,3-dimethyloct-1-en-7-yn-4-ol?
3,3-dimethyloct-1-en-7-yn-4-ol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyloct-1-en-7-yn-4-ol is sourced from PubChem (CID 162405475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).