(2S)-2-methoxyhept-6-en-1-ol

C8H16O2 — CID 130976760

IUPAC(2S)-2-methoxyhept-6-en-1-ol
SMILESC=CCCC[C@@H](CO)OC
InChIInChI=1S/C8H16O2/c1-3-4-5-6-8(7-9)10-2/h3,8-9H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyPNFPLLZNIJATPR-QMMMGPOBSA-N
MW144.21 g/mol
LogP1.35
Rot. Bonds6

About (2S)-2-methoxyhept-6-en-1-ol

(2S)-2-methoxyhept-6-en-1-ol (PubChem CID 130976760) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S)-2-methoxyhept-6-en-1-ol.

Molecular Properties

Compound Name(2S)-2-methoxyhept-6-en-1-ol
PubChem CID130976760
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S)-2-methoxyhept-6-en-1-ol
SMILESC=CCCC[C@@H](CO)OC
InChIInChI=1S/C8H16O2/c1-3-4-5-6-8(7-9)10-2/h3,8-9H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyPNFPLLZNIJATPR-QMMMGPOBSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxyhept-6-en-1-ol?
The IUPAC name of (2S)-2-methoxyhept-6-en-1-ol (CID 130976760) is (2S)-2-methoxyhept-6-en-1-ol.
What is the SMILES notation for (2S)-2-methoxyhept-6-en-1-ol?
The canonical SMILES for (2S)-2-methoxyhept-6-en-1-ol is C=CCCC[C@@H](CO)OC.
What is the InChIKey of (2S)-2-methoxyhept-6-en-1-ol?
The InChIKey is PNFPLLZNIJATPR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-5-6-8(7-9)10-2/h3,8-9H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of (2S)-2-methoxyhept-6-en-1-ol?
(2S)-2-methoxyhept-6-en-1-ol has a molecular weight of 144.21 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxyhept-6-en-1-ol is sourced from PubChem (CID 130976760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).