1-propylsulfanylhept-6-en-2-ol

C10H20OS — CID 65129654

IUPAC1-propylsulfanylhept-6-en-2-ol
SMILESC=CCCCC(O)CSCCC
InChIInChI=1S/C10H20OS/c1-3-5-6-7-10(11)9-12-8-4-2/h3,10-11H,1,4-9H2,2H3
InChIKeySUDVBVVCNRCVRI-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.85
Rot. Bonds8

About 1-propylsulfanylhept-6-en-2-ol

1-propylsulfanylhept-6-en-2-ol (PubChem CID 65129654) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-propylsulfanylhept-6-en-2-ol.

Molecular Properties

Compound Name1-propylsulfanylhept-6-en-2-ol
PubChem CID65129654
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name1-propylsulfanylhept-6-en-2-ol
SMILESC=CCCCC(O)CSCCC
InChIInChI=1S/C10H20OS/c1-3-5-6-7-10(11)9-12-8-4-2/h3,10-11H,1,4-9H2,2H3
InChIKeySUDVBVVCNRCVRI-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.85
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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Related Compounds

(2S)-1-(2-but-3-enyl-1,3-dithian-2-yl)propan-2-ol
CID 14358973
(1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol
CID 130930746
4-Propan-2-ylsulfanylhex-5-en-3-ol
CID 134906015
(E)-6-propan-2-ylsulfanylhex-5-en-3-ol
CID 134906046
(E)-1-propan-2-ylsulfanyloct-1-en-4-ol
CID 134906210
(3R,5S,7Z)-5-methoxy-3,4,5,6-tetrahydro-2H-thiocin-3-ol
CID 134932965
3-Propan-2-ylsulfanyloct-1-en-4-ol
CID 134978989
(s)-4-(2-Vinyl-1,3-dithian-2-yl)butan-2-ol
CID 145997421
(3R)-1-prop-2-enylsulfanylpentan-3-ol
CID 154708778
(3S)-1-prop-2-enylsulfanylpentan-3-ol
CID 154708779
1-(1,3-Dithian-2-yl)hept-6-en-3-ol
CID 583233
1,3-Dithiane-2-propanol, alpha-3-butenyl-, (R)-
CID 14683343

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfanylhept-6-en-2-ol?
The IUPAC name of 1-propylsulfanylhept-6-en-2-ol (CID 65129654) is 1-propylsulfanylhept-6-en-2-ol.
What is the SMILES notation for 1-propylsulfanylhept-6-en-2-ol?
The canonical SMILES for 1-propylsulfanylhept-6-en-2-ol is C=CCCCC(O)CSCCC.
What is the InChIKey of 1-propylsulfanylhept-6-en-2-ol?
The InChIKey is SUDVBVVCNRCVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-3-5-6-7-10(11)9-12-8-4-2/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 1-propylsulfanylhept-6-en-2-ol?
1-propylsulfanylhept-6-en-2-ol has a molecular weight of 188.34 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfanylhept-6-en-2-ol is sourced from PubChem (CID 65129654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).