1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol

C19H34O — CID 59824245

IUPAC1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol
SMILESCCC(C)CCCC(C)(O)CCC1=CC=C(C)C(C)C1
InChIInChI=1S/C19H34O/c1-6-15(2)8-7-12-19(5,20)13-11-18-10-9-16(3)17(4)14-18/h9-10,15,17,20H,6-8,11-14H2,1-5H3
InChIKeyDMMUDOIASXLUNS-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.65
Rot. Bonds8

About 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol

1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol (PubChem CID 59824245) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol.

Molecular Properties

Compound Name1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol
PubChem CID59824245
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol
SMILESCCC(C)CCCC(C)(O)CCC1=CC=C(C)C(C)C1
InChIInChI=1S/C19H34O/c1-6-15(2)8-7-12-19(5,20)13-11-18-10-9-16(3)17(4)14-18/h9-10,15,17,20H,6-8,11-14H2,1-5H3
InChIKeyDMMUDOIASXLUNS-UHFFFAOYSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol?
The IUPAC name of 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol (CID 59824245) is 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol.
What is the SMILES notation for 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol?
The canonical SMILES for 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol is CCC(C)CCCC(C)(O)CCC1=CC=C(C)C(C)C1.
What is the InChIKey of 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol?
The InChIKey is DMMUDOIASXLUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-6-15(2)8-7-12-19(5,20)13-11-18-10-9-16(3)17(4)14-18/h9-10,15,17,20H,6-8,11-14H2,1-5H3.
What are the key properties of 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol?
1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol has a molecular weight of 278.48 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnonan-3-ol is sourced from PubChem (CID 59824245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).