3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol

C30H50O — CID 72753022

IUPAC3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol
SMILESC=C(C)C(CC=C(C)CCC=C(C)CCC=C(C)C)CCC(C)=CCCC(C)=CCO
InChIInChI=1S/C30H50O/c1-24(2)12-9-13-26(5)14-10-15-27(6)18-20-30(25(3)4)21-19-28(7)16-11-17-29(8)22-23-31/h12,14,16,18,22,30-31H,3,9-11,13,15,17,19-21,23H2,1-2,4-8H3
InChIKeyAUDADELPAKYMJB-UHFFFAOYSA-N
MW426.73 g/mol
LogP9.43
Rot. Bonds16

About 3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol

3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol (PubChem CID 72753022) has the molecular formula C30H50O and a molecular weight of 426.73 g/mol. Its IUPAC name is 3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol.

Molecular Properties

Compound Name3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol
PubChem CID72753022
Molecular FormulaC30H50O
Molecular Weight426.73 g/mol
Exact Mass426.39
IUPAC Name3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol
SMILESC=C(C)C(CC=C(C)CCC=C(C)CCC=C(C)C)CCC(C)=CCCC(C)=CCO
InChIInChI=1S/C30H50O/c1-24(2)12-9-13-26(5)14-10-15-27(6)18-20-30(25(3)4)21-19-28(7)16-11-17-29(8)22-23-31/h12,14,16,18,22,30-31H,3,9-11,13,15,17,19-21,23H2,1-2,4-8H3
InChIKeyAUDADELPAKYMJB-UHFFFAOYSA-N
XLogP9.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.73
LogP ≤ 59.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol with MolForge

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Related Compounds

(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
(3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol
CID 87224782
6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol
CID 54034221
(3R,6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol
CID 163039097
9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene
CID 123703093
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol
CID 122388579
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 6476245
ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173407117

Frequently Asked Questions

What is the IUPAC name of 3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol?
The IUPAC name of 3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol (CID 72753022) is 3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol.
What is the SMILES notation for 3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol?
The canonical SMILES for 3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol is C=C(C)C(CC=C(C)CCC=C(C)CCC=C(C)C)CCC(C)=CCCC(C)=CCO.
What is the InChIKey of 3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol?
The InChIKey is AUDADELPAKYMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O/c1-24(2)12-9-13-26(5)14-10-15-27(6)18-20-30(25(3)4)21-19-28(7)16-11-17-29(8)22-23-31/h12,14,16,18,22,30-31H,3,9-11,13,15,17,19-21,23H2,1-2,4-8H3.
What are the key properties of 3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol?
3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol has a molecular weight of 426.73 g/mol, XLogP of 9.43, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol is sourced from PubChem (CID 72753022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).