(4R)-4-methylhept-6-yn-1-ol

C8H14O — CID 14793501

IUPAC(4R)-4-methylhept-6-yn-1-ol
SMILESC#CC[C@H](C)CCCO
InChIInChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9/h1,8-9H,4-7H2,2H3/t8-/m0/s1
InChIKeyMDTQFFPGYAUCGE-QMMMGPOBSA-N
MW126.20 g/mol
LogP1.42
Rot. Bonds4

About (4R)-4-methylhept-6-yn-1-ol

(4R)-4-methylhept-6-yn-1-ol (PubChem CID 14793501) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (4R)-4-methylhept-6-yn-1-ol.

Molecular Properties

Compound Name(4R)-4-methylhept-6-yn-1-ol
PubChem CID14793501
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(4R)-4-methylhept-6-yn-1-ol
SMILESC#CC[C@H](C)CCCO
InChIInChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9/h1,8-9H,4-7H2,2H3/t8-/m0/s1
InChIKeyMDTQFFPGYAUCGE-QMMMGPOBSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methylhept-6-yn-1-ol?
The IUPAC name of (4R)-4-methylhept-6-yn-1-ol (CID 14793501) is (4R)-4-methylhept-6-yn-1-ol.
What is the SMILES notation for (4R)-4-methylhept-6-yn-1-ol?
The canonical SMILES for (4R)-4-methylhept-6-yn-1-ol is C#CC[C@H](C)CCCO.
What is the InChIKey of (4R)-4-methylhept-6-yn-1-ol?
The InChIKey is MDTQFFPGYAUCGE-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9/h1,8-9H,4-7H2,2H3/t8-/m0/s1.
What are the key properties of (4R)-4-methylhept-6-yn-1-ol?
(4R)-4-methylhept-6-yn-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methylhept-6-yn-1-ol is sourced from PubChem (CID 14793501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).