4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene

C20H40O2 — CID 150096400

IUPAC4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene
SMILESCC=CC(CCC(CCCCCCCC)C(C)(C)OC)OC
InChIInChI=1S/C20H40O2/c1-7-9-10-11-12-13-15-18(20(3,4)22-6)16-17-19(21-5)14-8-2/h8,14,18-19H,7,9-13,15-17H2,1-6H3
InChIKeyDUIDIGRDWDTNPF-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.15
Rot. Bonds14

About 4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene

4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene (PubChem CID 150096400) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene.

Molecular Properties

Compound Name4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene
PubChem CID150096400
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene
SMILESCC=CC(CCC(CCCCCCCC)C(C)(C)OC)OC
InChIInChI=1S/C20H40O2/c1-7-9-10-11-12-13-15-18(20(3,4)22-6)16-17-19(21-5)14-8-2/h8,14,18-19H,7,9-13,15-17H2,1-6H3
InChIKeyDUIDIGRDWDTNPF-UHFFFAOYSA-N
XLogP6.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isosarcophytoxide
CID 6475698
(1aR,4E,8E,9aR,14aR)-4,8,12,14a-tetramethyl-1a,2,3,6,7,9a,11,13,14,14a-decahydrooxireno[5,6]cyclotetradeca[1,2-b]furan
CID 642925
(9Z,13Z)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene
CID 101593092
(1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene
CID 162930313
(4R,6R,9E,13E)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene
CID 145740397
(4R,6R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene
CID 172013413
"(2S, 11R, 12R)-isosarcophytoxide"
CID 13891857
3-Methoxy-6-[2-(4-methoxycyclohex-2-en-1-yl)propan-2-yl]cyclohexene
CID 20336488
2,4-Dimethyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran
CID 54233942
2-Methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran
CID 54394043
(3R,6S)-2-ethyl-3,4,5-trimethyl-6-[(Z,3S,4R,5R)-3,4,5-trimethylhept-1-enyl]oxane
CID 59101265
4-Butoxy-5,6-dimethyl-3-(3-methylpent-4-enyl)cyclohex-2-en-1-olate
CID 59271432

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene?
The IUPAC name of 4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene (CID 150096400) is 4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene.
What is the SMILES notation for 4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene?
The canonical SMILES for 4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene is CC=CC(CCC(CCCCCCCC)C(C)(C)OC)OC.
What is the InChIKey of 4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene?
The InChIKey is DUIDIGRDWDTNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-7-9-10-11-12-13-15-18(20(3,4)22-6)16-17-19(21-5)14-8-2/h8,14,18-19H,7,9-13,15-17H2,1-6H3.
What are the key properties of 4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene?
4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene has a molecular weight of 312.54 g/mol, XLogP of 6.15, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene is sourced from PubChem (CID 150096400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).