4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene

C24H30O3 — CID 174693392

IUPAC4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene
SMILESC=CC(=O)OC(C)=C=C(C)C.CCCCCOc1cccc2ccccc12
InChIInChI=1S/C15H18O.C9H12O2/c1-2-3-6-12-16-15-11-7-9-13-8-4-5-10-14(13)15;1-5-9(10)11-8(4)6-7(2)3/h4-5,7-11H,2-3,6,12H2,1H3;5H,1H2,2-4H3
InChIKeyGRAWWMCREZKOIS-UHFFFAOYSA-N
MW366.50 g/mol
LogP6.59
Rot. Bonds7

About 4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene

4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene (PubChem CID 174693392) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is 4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene.

Molecular Properties

Compound Name4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene
PubChem CID174693392
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene
SMILESC=CC(=O)OC(C)=C=C(C)C.CCCCCOc1cccc2ccccc12
InChIInChI=1S/C15H18O.C9H12O2/c1-2-3-6-12-16-15-11-7-9-13-8-4-5-10-14(13)15;1-5-9(10)11-8(4)6-7(2)3/h4-5,7-11H,2-3,6,12H2,1H3;5H,1H2,2-4H3
InChIKeyGRAWWMCREZKOIS-UHFFFAOYSA-N
XLogP6.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methylbuta-1,2-diene;1-pentoxynaphthalene
CID 174706158
1-butoxynaphthalene
CID 13262700
2-naphthalen-1-yloxyethyl octadecanoate
CID 154105287
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
naphthalen-1-yl prop-2-enoate
CID 10192638
1-decoxyphenanthrene
CID 140993229
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
(3-nonoxy-2-propanoyloxyphenyl) propanoate
CID 90024592
naphthalen-1-yl pentyl carbonate
CID 175011067
3-[4,5,6-tripentoxy-2,3-bis(3-prop-2-enoyloxypropoxy)triphenylen-1-yl]oxypropyl prop-2-enoate
CID 54278083
(3-prop-2-enoyloxy-2-tetradecoxyphenyl) benzoate
CID 173404141
N-butyl-4-naphthalen-1-yloxybutan-1-amine
CID 2249724

Frequently Asked Questions

What is the IUPAC name of 4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene?
The IUPAC name of 4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene (CID 174693392) is 4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene.
What is the SMILES notation for 4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene?
The canonical SMILES for 4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene is C=CC(=O)OC(C)=C=C(C)C.CCCCCOc1cccc2ccccc12.
What is the InChIKey of 4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene?
The InChIKey is GRAWWMCREZKOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O.C9H12O2/c1-2-3-6-12-16-15-11-7-9-13-8-4-5-10-14(13)15;1-5-9(10)11-8(4)6-7(2)3/h4-5,7-11H,2-3,6,12H2,1H3;5H,1H2,2-4H3.
What are the key properties of 4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene?
4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene has a molecular weight of 366.50 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene is sourced from PubChem (CID 174693392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).