(5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol

C10H18OS — CID 13263785

IUPAC(5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol
SMILESC=CC(SC(C)C)C(O)/C=C/C
InChIInChI=1S/C10H18OS/c1-5-7-9(11)10(6-2)12-8(3)4/h5-11H,2H2,1,3-4H3/b7-5+
InChIKeyKVBIKYVKKHJYQL-FNORWQNLSA-N
MW186.32 g/mol
LogP2.62
Rot. Bonds5

About (5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol

(5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol (PubChem CID 13263785) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol.

Molecular Properties

Compound Name(5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol
PubChem CID13263785
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol
SMILESC=CC(SC(C)C)C(O)/C=C/C
InChIInChI=1S/C10H18OS/c1-5-7-9(11)10(6-2)12-8(3)4/h5-11H,2H2,1,3-4H3/b7-5+
InChIKeyKVBIKYVKKHJYQL-FNORWQNLSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,5E)-hepta-1,5-diene-3,4-diol
CID 131234166
(E)-4-propan-2-ylsulfanylpent-2-ene
CID 14364621
(E)-2-prop-2-enoxyhex-4-en-3-ol
CID 89174022
(3S,4E)-3-methylhexa-1,4-diene
CID 173019569
(Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene
CID 143333255
(5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid
CID 173238489
hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane
CID 154327842
(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol
CID 10931836
(5Z)-3-fluoro-4-methylhepta-1,5-diene
CID 143849032
(Z,3S,4S)-hept-5-ene-3,4-diol
CID 134854667
(6E)-3,5-dimethylocta-1,6-diene
CID 5365812
azane;4-methylpent-1-en-3-ol
CID 175575018

Frequently Asked Questions

What is the IUPAC name of (5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol?
The IUPAC name of (5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol (CID 13263785) is (5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol.
What is the SMILES notation for (5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol?
The canonical SMILES for (5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol is C=CC(SC(C)C)C(O)/C=C/C.
What is the InChIKey of (5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol?
The InChIKey is KVBIKYVKKHJYQL-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18OS/c1-5-7-9(11)10(6-2)12-8(3)4/h5-11H,2H2,1,3-4H3/b7-5+.
What are the key properties of (5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol?
(5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol has a molecular weight of 186.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol is sourced from PubChem (CID 13263785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).