(Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol

C11H20OS — CID 143506484

IUPAC(Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol
SMILESC/C=C(\C=C/CSC)C(C)CCO
InChIInChI=1S/C11H20OS/c1-4-11(6-5-9-13-3)10(2)7-8-12/h4-6,10,12H,7-9H2,1-3H3/b6-5-,11-4+
InChIKeyZCLFVNHVUZUASS-VWXLBWAMSA-N
MW200.35 g/mol
LogP2.87
Rot. Bonds6

About (Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol

(Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol (PubChem CID 143506484) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol.

Molecular Properties

Compound Name(Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol
PubChem CID143506484
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol
SMILESC/C=C(\C=C/CSC)C(C)CCO
InChIInChI=1S/C11H20OS/c1-4-11(6-5-9-13-3)10(2)7-8-12/h4-6,10,12H,7-9H2,1-3H3/b6-5-,11-4+
InChIKeyZCLFVNHVUZUASS-VWXLBWAMSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,3R)-4-(1,3-dithian-2-ylidene)-3-methylhept-5-en-1-ol
CID 24905799
(3S,5E)-3,7-dimethylocta-5,7-dien-1-ol
CID 11105579
(5E)-3,7-dimethylocta-5,7-dien-1-ol
CID 12920428
(S)-3,7-dimethyl-5,7-octadiene-1-ol
CID 53960761
3,7-Dimethylocta-5,7-dien-1-ol
CID 53960762
(3R,4E)-3,4-dimethylhepta-4,6-dien-1-ol
CID 88900197
2-(2-methyl-5-prop-1-en-2-yl-3H-thiophen-2-yl)ethanol
CID 118437157
4-methyl-4-[(1E)-4-methylpenta-1,3-dienyl]thietan-2-ol
CID 118437175
4-Methyl-4-(4-methylpenta-1,3-dienyl)thietan-2-ol
CID 123223096
4-(8-Methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol
CID 123311410
3,4-Dimethylidene-7-methylsulfanylnona-5,7-dien-1-ol
CID 123423530
2-[6-[(Tert-butyldisulfanyl)methyl]cyclohexa-2,4-dien-1-yl]ethanol
CID 123644583

Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol?
The IUPAC name of (Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol (CID 143506484) is (Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol.
What is the SMILES notation for (Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol?
The canonical SMILES for (Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol is C/C=C(\C=C/CSC)C(C)CCO.
What is the InChIKey of (Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol?
The InChIKey is ZCLFVNHVUZUASS-VWXLBWAMSA-N. The full InChI is InChI=1S/C11H20OS/c1-4-11(6-5-9-13-3)10(2)7-8-12/h4-6,10,12H,7-9H2,1-3H3/b6-5-,11-4+.
What are the key properties of (Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol?
(Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol has a molecular weight of 200.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-4-ethylidene-3-methyl-7-methylsulfanylhept-5-en-1-ol is sourced from PubChem (CID 143506484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).