carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene

C21H34O3 — CID 173093653

IUPACcarbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene
SMILESCC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C.O=C(O)O
InChIInChI=1S/C20H32.CH2O3/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3;2-1(3)4/h7,9,11-12,14-15H,8,10,13,16H2,1-6H3;(H2,2,3,4)
InChIKeyDYVIOSBRMIOPLM-UHFFFAOYSA-N
MW334.50 g/mol
LogP7.15
Rot. Bonds8

About carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene

carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene (PubChem CID 173093653) has the molecular formula C21H34O3 and a molecular weight of 334.50 g/mol. Its IUPAC name is carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene.

Molecular Properties

Compound Namecarbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene
PubChem CID173093653
Molecular FormulaC21H34O3
Molecular Weight334.50 g/mol
Exact Mass334.25
IUPAC Namecarbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene
SMILESCC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C.O=C(O)O
InChIInChI=1S/C20H32.CH2O3/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3;2-1(3)4/h7,9,11-12,14-15H,8,10,13,16H2,1-6H3;(H2,2,3,4)
InChIKeyDYVIOSBRMIOPLM-UHFFFAOYSA-N
XLogP7.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene
CID 123202578
(10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
CID 162342692
(2E,4E,6E,10E)-7,11,15-trimethyl-3-(111C)methylhexadeca-2,4,6,10,14-pentaenoic acid
CID 170653107
(2E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
CID 173398682
6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one
CID 54479411
2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
CID 163002608
methyl (2E,4E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,4,6,10,14,18-hexaenoate
CID 22168238
(3E,5Z,7Z,9E)-6,10,14-trimethylpentadeca-3,5,7,9,13-pentaen-2-one
CID 134820096
2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
CID 123174328
(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 21145326
(3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene
CID 58792498
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,26-dodecaenoic acid
CID 50986066

Frequently Asked Questions

What is the IUPAC name of carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene?
The IUPAC name of carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene (CID 173093653) is carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene.
What is the SMILES notation for carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene?
The canonical SMILES for carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene is CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene?
The InChIKey is DYVIOSBRMIOPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32.CH2O3/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3;2-1(3)4/h7,9,11-12,14-15H,8,10,13,16H2,1-6H3;(H2,2,3,4).
What are the key properties of carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene?
carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene has a molecular weight of 334.50 g/mol, XLogP of 7.15, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene is sourced from PubChem (CID 173093653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).