(2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol

C10H16O2 — CID 129145792

IUPAC(2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol
SMILESC/C=C\C(\C=C/CO)=C(/C)OC
InChIInChI=1S/C10H16O2/c1-4-6-10(7-5-8-11)9(2)12-3/h4-7,11H,8H2,1-3H3/b6-4-,7-5-,10-9-
InChIKeyPVHWIFQBYZPCJS-VFTRMDIHSA-N
MW168.24 g/mol
LogP2.03
Rot. Bonds4

About (2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol

(2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol (PubChem CID 129145792) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol.

Molecular Properties

Compound Name(2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol
PubChem CID129145792
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol
SMILESC/C=C\C(\C=C/CO)=C(/C)OC
InChIInChI=1S/C10H16O2/c1-4-6-10(7-5-8-11)9(2)12-3/h4-7,11H,8H2,1-3H3/b6-4-,7-5-,10-9-
InChIKeyPVHWIFQBYZPCJS-VFTRMDIHSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.03
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

(2E,6E)-4,5-bis[(E)-3-hydroxyprop-1-enyl]octa-2,4,6-triene-1,8-diol
CID 102532219
4-methoxy-5-methylhepta-2,4-diene
CID 91556490
3-methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
(2Z,4Z)-3-[(Z)-prop-1-enyl]hepta-2,4-dien-2-amine
CID 166922206
(2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol
CID 89344777
acetyl acetate;(2E,4E)-hexa-2,4-dien-1-ol
CID 158678066
but-2-en-1-ol;methyl prop-2-enoate
CID 174878800
1,6-dihydroxyhexa-2,4-dien-3-yl 2-methylbut-2-enoate
CID 57251388
methyl 2,3-dimethylhexa-2,4-dienoate
CID 72585476
3-(methoxyamino)prop-2-en-1-ol
CID 57086072
(2E,4E)-4-methylhepta-2,4-dien-1-ol
CID 10654230
4-but-2-enoxybut-2-en-1-ol
CID 76540479

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol?
The IUPAC name of (2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol (CID 129145792) is (2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol.
What is the SMILES notation for (2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol?
The canonical SMILES for (2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol is C/C=C\C(\C=C/CO)=C(/C)OC.
What is the InChIKey of (2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol?
The InChIKey is PVHWIFQBYZPCJS-VFTRMDIHSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-10(7-5-8-11)9(2)12-3/h4-7,11H,8H2,1-3H3/b6-4-,7-5-,10-9-.
What are the key properties of (2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol?
(2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol has a molecular weight of 168.24 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,5Z)-4-(1-methoxyethylidene)hepta-2,5-dien-1-ol is sourced from PubChem (CID 129145792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).