(2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol

C9H13ClO — CID 142113261

IUPAC(2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol
SMILESC=C(/C=C\C(O)=C(/C)Cl)CC
InChIInChI=1S/C9H13ClO/c1-4-7(2)5-6-9(11)8(3)10/h5-6,11H,2,4H2,1,3H3/b6-5-,9-8-
InChIKeyYHQOADYIYNDJNU-AFJQJTPPSA-N
MW172.65 g/mol
LogP3.54
Rot. Bonds3

About (2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol

(2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol (PubChem CID 142113261) has the molecular formula C9H13ClO and a molecular weight of 172.65 g/mol. Its IUPAC name is (2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol.

Molecular Properties

Compound Name(2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol
PubChem CID142113261
Molecular FormulaC9H13ClO
Molecular Weight172.65 g/mol
Exact Mass172.07
IUPAC Name(2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol
SMILESC=C(/C=C\C(O)=C(/C)Cl)CC
InChIInChI=1S/C9H13ClO/c1-4-7(2)5-6-9(11)8(3)10/h5-6,11H,2,4H2,1,3H3/b6-5-,9-8-
InChIKeyYHQOADYIYNDJNU-AFJQJTPPSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.65
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-methylidenehept-3-en-2-one
CID 123321874
(1E,3Z)-2-chloro-5-methylidenehepta-1,3-dien-1-amine
CID 90048186
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
(3Z)-N,N-diethyl-5-methylidenehepta-1,3-dien-2-amine
CID 142937124
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552
methane;(4Z)-2-methyl-6-methylideneocta-2,4-diene
CID 145083529
(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine
CID 145480541

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol?
The IUPAC name of (2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol (CID 142113261) is (2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol.
What is the SMILES notation for (2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol?
The canonical SMILES for (2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol is C=C(/C=C\C(O)=C(/C)Cl)CC.
What is the InChIKey of (2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol?
The InChIKey is YHQOADYIYNDJNU-AFJQJTPPSA-N. The full InChI is InChI=1S/C9H13ClO/c1-4-7(2)5-6-9(11)8(3)10/h5-6,11H,2,4H2,1,3H3/b6-5-,9-8-.
What are the key properties of (2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol?
(2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol has a molecular weight of 172.65 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol is sourced from PubChem (CID 142113261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).