6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate

C19H24O3 — CID 87163848

IUPAC6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate
SMILESC=C/C=c1/cc(OCCCCCCOC(=O)C=C)ccc1=C
InChIInChI=1S/C19H24O3/c1-4-10-17-15-18(12-11-16(17)3)21-13-8-6-7-9-14-22-19(20)5-2/h4-5,10-12,15H,1-3,6-9,13-14H2/b17-10-
InChIKeyJHCSUGHMUJJATP-YVLHZVERSA-N
MW300.40 g/mol
LogP2.73
Rot. Bonds10

About 6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate

6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate (PubChem CID 87163848) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate.

Molecular Properties

Compound Name6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate
PubChem CID87163848
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate
SMILESC=C/C=c1/cc(OCCCCCCOC(=O)C=C)ccc1=C
InChIInChI=1S/C19H24O3/c1-4-10-17-15-18(12-11-16(17)3)21-13-8-6-7-9-14-22-19(20)5-2/h4-5,10-12,15H,1-3,6-9,13-14H2/b17-10-
InChIKeyJHCSUGHMUJJATP-YVLHZVERSA-N
XLogP2.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate?
The IUPAC name of 6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate (CID 87163848) is 6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate.
What is the SMILES notation for 6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate?
The canonical SMILES for 6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate is C=C/C=c1/cc(OCCCCCCOC(=O)C=C)ccc1=C.
What is the InChIKey of 6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate?
The InChIKey is JHCSUGHMUJJATP-YVLHZVERSA-N. The full InChI is InChI=1S/C19H24O3/c1-4-10-17-15-18(12-11-16(17)3)21-13-8-6-7-9-14-22-19(20)5-2/h4-5,10-12,15H,1-3,6-9,13-14H2/b17-10-.
What are the key properties of 6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate?
6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate has a molecular weight of 300.40 g/mol, XLogP of 2.73, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]oxyhexyl prop-2-enoate is sourced from PubChem (CID 87163848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).