2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol

C19H38O — CID 144530855

IUPAC2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol
SMILESC=C(C)C(O)CCC(C)CCC(C)(C(C)C)C(C)(C)C
InChIInChI=1S/C19H38O/c1-14(2)17(20)11-10-16(5)12-13-19(9,15(3)4)18(6,7)8/h15-17,20H,1,10-13H2,2-9H3
InChIKeyDBIYFHWTYSKJDY-UHFFFAOYSA-N
MW282.51 g/mol
LogP5.83
Rot. Bonds8

About 2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol

2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol (PubChem CID 144530855) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol.

Molecular Properties

Compound Name2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol
PubChem CID144530855
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol
SMILESC=C(C)C(O)CCC(C)CCC(C)(C(C)C)C(C)(C)C
InChIInChI=1S/C19H38O/c1-14(2)17(20)11-10-16(5)12-13-19(9,15(3)4)18(6,7)8/h15-17,20H,1,10-13H2,2-9H3
InChIKeyDBIYFHWTYSKJDY-UHFFFAOYSA-N
XLogP5.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 13208265
(5S)-2,6-dimethylhept-6-ene-2,5-diol
CID 11815994
(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol
CID 14707137
3-hydroxy-6-methyloctan-2-one
CID 87292065
2,5,5-trimethylhexan-1-ol
CID 3020914
2-methyl-6-methylideneocta-1,7-dien-3-ol
CID 534462
6-methoxy-2-methylhex-1-en-3-ol
CID 105110564
2-methylnon-1-ene-3,7-diol
CID 140997811
3-methyl-1-methylsulfonylbut-3-en-2-ol
CID 115817465
1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol
CID 88752071
(6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol
CID 24974006
5-hydroxy-6-methylhept-6-enoic acid
CID 22417308

Frequently Asked Questions

What is the IUPAC name of 2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol?
The IUPAC name of 2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol (CID 144530855) is 2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol.
What is the SMILES notation for 2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol?
The canonical SMILES for 2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol is C=C(C)C(O)CCC(C)CCC(C)(C(C)C)C(C)(C)C.
What is the InChIKey of 2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol?
The InChIKey is DBIYFHWTYSKJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-14(2)17(20)11-10-16(5)12-13-19(9,15(3)4)18(6,7)8/h15-17,20H,1,10-13H2,2-9H3.
What are the key properties of 2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol?
2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol has a molecular weight of 282.51 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol is sourced from PubChem (CID 144530855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).