(5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol

C14H20O2 — CID 142813174

IUPAC(5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol
SMILESC=C/C(=C1/OCC/C1=C/C)C(C)CC(=C)O
InChIInChI=1S/C14H20O2/c1-5-12-7-8-16-14(12)13(6-2)10(3)9-11(4)15/h5-6,10,15H,2,4,7-9H2,1,3H3/b12-5-,14-13-
InChIKeyOVKOAMZHMSJPPG-FLNLLXCPSA-N
MW220.31 g/mol
LogP3.89
Rot. Bonds4

About (5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol

(5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol (PubChem CID 142813174) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol.

Molecular Properties

Compound Name(5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol
PubChem CID142813174
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol
SMILESC=C/C(=C1/OCC/C1=C/C)C(C)CC(=C)O
InChIInChI=1S/C14H20O2/c1-5-12-7-8-16-14(12)13(6-2)10(3)9-11(4)15/h5-6,10,15H,2,4,7-9H2,1,3H3/b12-5-,14-13-
InChIKeyOVKOAMZHMSJPPG-FLNLLXCPSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethylidene-2-prop-2-enylideneoxolane
CID 91481308
(E)-[(3Z)-3-ethylideneoxolan-2-ylidene]methanamine
CID 144833852
2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine
CID 142856991
(2E,3Z)-2-ethylidene-3-propylideneoxolane
CID 142121655
4-ethylidene-3-prop-2-enylideneoxane
CID 91078972
ethene;(E)-4-ethenyl-3-methylhex-4-enoic acid
CID 165405192
(3Z)-N-ethyl-3-ethylideneoxan-2-imine
CID 146613948
(3E,4Z)-3,4-di(ethylidene)oxane;ethane
CID 143460049
ethane;(4Z)-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylideneoxane
CID 142234221
N-ethenyl-2-methylideneoxolan-3-imine
CID 143679224
3-(3-methylbut-1-enylidene)oxolan-2-one
CID 135018805
4-methylidenehex-5-en-2-ol
CID 13427514

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol?
The IUPAC name of (5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol (CID 142813174) is (5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol.
What is the SMILES notation for (5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol?
The canonical SMILES for (5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol is C=C/C(=C1/OCC/C1=C/C)C(C)CC(=C)O.
What is the InChIKey of (5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol?
The InChIKey is OVKOAMZHMSJPPG-FLNLLXCPSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-12-7-8-16-14(12)13(6-2)10(3)9-11(4)15/h5-6,10,15H,2,4,7-9H2,1,3H3/b12-5-,14-13-.
What are the key properties of (5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol?
(5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol has a molecular weight of 220.31 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol is sourced from PubChem (CID 142813174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).