2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol

C33H56O2 — CID 67823707

IUPAC2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol
SMILESCCCCCCCCCC1(C)C=CC(O)=C(CC2=C(O)C=CC(C)(CCCCCCCCC)C2)C1
InChIInChI=1S/C33H56O2/c1-5-7-9-11-13-15-17-21-32(3)23-19-30(34)28(26-32)25-29-27-33(4,24-20-31(29)35)22-18-16-14-12-10-8-6-2/h19-20,23-24,34-35H,5-18,21-22,25-27H2,1-4H3
InChIKeyKSIDJHPYXMHJOV-UHFFFAOYSA-N
MW484.81 g/mol
LogP11.21
Rot. Bonds18

About 2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol

2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol (PubChem CID 67823707) has the molecular formula C33H56O2 and a molecular weight of 484.81 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol
PubChem CID67823707
Molecular FormulaC33H56O2
Molecular Weight484.81 g/mol
Exact Mass484.43
IUPAC Name2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol
SMILESCCCCCCCCCC1(C)C=CC(O)=C(CC2=C(O)C=CC(C)(CCCCCCCCC)C2)C1
InChIInChI=1S/C33H56O2/c1-5-7-9-11-13-15-17-21-32(3)23-19-30(34)28(26-32)25-29-27-33(4,24-20-31(29)35)22-18-16-14-12-10-8-6-2/h19-20,23-24,34-35H,5-18,21-22,25-27H2,1-4H3
InChIKeyKSIDJHPYXMHJOV-UHFFFAOYSA-N
XLogP11.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 511.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol
CID 67820941
5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol
CID 68923292
2,5-dibutyl-5-methylcyclohexa-1,3-diene
CID 90832569
(4S)-4-hexadecyl-4-hydroxycyclopent-2-en-1-one
CID 101350451
(2-heptadecylimidazolidin-2-yl)methanol
CID 141387929
2-hexadecyl-2-methyloxirane
CID 87444144
2-methyl-2-nonadecyloxirane
CID 87754306
2-icosyl-2-methyloxirane
CID 87753382
(5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol
CID 141262183
2-tert-butyl-5-heptyl-5-methylcyclohexa-1,3-diene-1,3-dicarboxylic acid
CID 151803066
3-methyl-1-pentylcyclopent-3-en-1-ol
CID 139771614
4-hexyl-2,4,6-trimethyl-1H-pyridine
CID 101151039

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol (CID 67823707) is 2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol is CCCCCCCCCC1(C)C=CC(O)=C(CC2=C(O)C=CC(C)(CCCCCCCCC)C2)C1.
What is the InChIKey of 2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol?
The InChIKey is KSIDJHPYXMHJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56O2/c1-5-7-9-11-13-15-17-21-32(3)23-19-30(34)28(26-32)25-29-27-33(4,24-20-31(29)35)22-18-16-14-12-10-8-6-2/h19-20,23-24,34-35H,5-18,21-22,25-27H2,1-4H3.
What are the key properties of 2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol?
2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol has a molecular weight of 484.81 g/mol, XLogP of 11.21, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 67823707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).