(3R)-4,4-dimethylhept-6-en-1-yn-3-ol

C9H14O — CID 130685837

IUPAC(3R)-4,4-dimethylhept-6-en-1-yn-3-ol
SMILESC#C[C@H](O)C(C)(C)CC=C
InChIInChI=1S/C9H14O/c1-5-7-9(3,4)8(10)6-2/h2,5,8,10H,1,7H2,3-4H3/t8-/m0/s1
InChIKeyNUZYLGNPFMPNOZ-QMMMGPOBSA-N
MW138.21 g/mol
LogP1.58
Rot. Bonds3

About (3R)-4,4-dimethylhept-6-en-1-yn-3-ol

(3R)-4,4-dimethylhept-6-en-1-yn-3-ol (PubChem CID 130685837) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3R)-4,4-dimethylhept-6-en-1-yn-3-ol.

Molecular Properties

Compound Name(3R)-4,4-dimethylhept-6-en-1-yn-3-ol
PubChem CID130685837
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3R)-4,4-dimethylhept-6-en-1-yn-3-ol
SMILESC#C[C@H](O)C(C)(C)CC=C
InChIInChI=1S/C9H14O/c1-5-7-9(3,4)8(10)6-2/h2,5,8,10H,1,7H2,3-4H3/t8-/m0/s1
InChIKeyNUZYLGNPFMPNOZ-QMMMGPOBSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.58
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

1,1,1-Trifluoro-5,5-dimethyloct-7-en-2-yn-4-ol
CID 135023914
2-Prop-2-enyl-2-prop-2-ynylpropane-1,3-diol
CID 85548660
4-Ethynyl-4-methylhexa-1,5-dien-3-ol
CID 85919387
(5R)-non-1-en-6-yn-5-ol
CID 11309547
1-Methoxy-5,5-dimethyloct-7-en-2-yn-4-ol
CID 14271068
4-Hydroxy-5,5-dimethyloct-7-en-2-ynoic acid
CID 129927402
6,6,9-Trimethyldeca-1,8-dien-3-yn-5-ol
CID 154707186
3,3-Dimethyloct-1-en-7-yn-4-ol
CID 162405475
(4S)-oct-7-en-2-yn-4-ol
CID 11177252
3-Ethynyl-3-methylpent-4-en-1-ol
CID 21670497
(2S)-3,3-dimethylhex-5-en-2-ol
CID 102526529
4-Methyloct-1-en-6-yn-3-ol
CID 17879869

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4-dimethylhept-6-en-1-yn-3-ol?
The IUPAC name of (3R)-4,4-dimethylhept-6-en-1-yn-3-ol (CID 130685837) is (3R)-4,4-dimethylhept-6-en-1-yn-3-ol.
What is the SMILES notation for (3R)-4,4-dimethylhept-6-en-1-yn-3-ol?
The canonical SMILES for (3R)-4,4-dimethylhept-6-en-1-yn-3-ol is C#C[C@H](O)C(C)(C)CC=C.
What is the InChIKey of (3R)-4,4-dimethylhept-6-en-1-yn-3-ol?
The InChIKey is NUZYLGNPFMPNOZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14O/c1-5-7-9(3,4)8(10)6-2/h2,5,8,10H,1,7H2,3-4H3/t8-/m0/s1.
What are the key properties of (3R)-4,4-dimethylhept-6-en-1-yn-3-ol?
(3R)-4,4-dimethylhept-6-en-1-yn-3-ol has a molecular weight of 138.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4-dimethylhept-6-en-1-yn-3-ol is sourced from PubChem (CID 130685837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).