(2R)-2-prop-2-ynylhex-5-en-1-ol

C9H14O — CID 16753564

IUPAC(2R)-2-prop-2-ynylhex-5-en-1-ol
SMILESC#CCC(CO)CCC=C
InChIInChI=1S/C9H14O/c1-3-5-7-9(8-10)6-4-2/h2-3,9-10H,1,5-8H2
InChIKeyFZYYGIQDTDYMGL-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.58
Rot. Bonds5

About (2R)-2-prop-2-ynylhex-5-en-1-ol

(2R)-2-prop-2-ynylhex-5-en-1-ol (PubChem CID 16753564) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (2R)-2-prop-2-ynylhex-5-en-1-ol.

Molecular Properties

Compound Name(2R)-2-prop-2-ynylhex-5-en-1-ol
PubChem CID16753564
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(2R)-2-prop-2-ynylhex-5-en-1-ol
SMILESC#CCC(CO)CCC=C
InChIInChI=1S/C9H14O/c1-3-5-7-9(8-10)6-4-2/h2-3,9-10H,1,5-8H2
InChIKeyFZYYGIQDTDYMGL-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-prop-2-ynylhex-5-en-1-ol?
The IUPAC name of (2R)-2-prop-2-ynylhex-5-en-1-ol (CID 16753564) is (2R)-2-prop-2-ynylhex-5-en-1-ol.
What is the SMILES notation for (2R)-2-prop-2-ynylhex-5-en-1-ol?
The canonical SMILES for (2R)-2-prop-2-ynylhex-5-en-1-ol is C#CCC(CO)CCC=C.
What is the InChIKey of (2R)-2-prop-2-ynylhex-5-en-1-ol?
The InChIKey is FZYYGIQDTDYMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-5-7-9(8-10)6-4-2/h2-3,9-10H,1,5-8H2.
What are the key properties of (2R)-2-prop-2-ynylhex-5-en-1-ol?
(2R)-2-prop-2-ynylhex-5-en-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-prop-2-ynylhex-5-en-1-ol is sourced from PubChem (CID 16753564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).