(2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol

C14H24O2 — CID 143452524

IUPAC(2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol
SMILESC=C/C(CO)=C(OCCC)\C(=C/C)C(C)C
InChIInChI=1S/C14H24O2/c1-6-9-16-14(12(7-2)10-15)13(8-3)11(4)5/h7-8,11,15H,2,6,9-10H2,1,3-5H3/b13-8-,14-12-
InChIKeyCLYDVWPXUIEPFB-FTLKULPESA-N
MW224.34 g/mol
LogP3.45
Rot. Bonds7

About (2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol

(2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol (PubChem CID 143452524) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol
PubChem CID143452524
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol
SMILESC=C/C(CO)=C(OCCC)\C(=C/C)C(C)C
InChIInChI=1S/C14H24O2/c1-6-9-16-14(12(7-2)10-15)13(8-3)11(4)5/h7-8,11,15H,2,6,9-10H2,1,3-5H3/b13-8-,14-12-
InChIKeyCLYDVWPXUIEPFB-FTLKULPESA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine
CID 137390509
(Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane
CID 143452543
ethenoxyethene;propyl prop-2-enoate
CID 174744389
2-propoxyprop-2-en-1-ol
CID 89416516
(3E,5Z)-4-ethoxy-5-propan-2-ylhepta-1,3,5-triene
CID 144527546
propyl 2-(chloromethylidene)-3-methylbutanoate
CID 173321459
N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate
CID 146373089
N-propan-2-ylpropan-2-amine;propyl prop-2-enoate
CID 175325942
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
(3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene
CID 143865057
dipropyl 2,3-diiodobutanedioate
CID 87640369

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol?
The IUPAC name of (2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol (CID 143452524) is (2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol.
What is the SMILES notation for (2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol?
The canonical SMILES for (2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol is C=C/C(CO)=C(OCCC)\C(=C/C)C(C)C.
What is the InChIKey of (2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol?
The InChIKey is CLYDVWPXUIEPFB-FTLKULPESA-N. The full InChI is InChI=1S/C14H24O2/c1-6-9-16-14(12(7-2)10-15)13(8-3)11(4)5/h7-8,11,15H,2,6,9-10H2,1,3-5H3/b13-8-,14-12-.
What are the key properties of (2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol?
(2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol has a molecular weight of 224.34 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol is sourced from PubChem (CID 143452524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).