3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol

C18H30O — CID 115838115

IUPAC3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol
SMILESCCCc1cccc(C(O)CC(C)CC(C)(C)C)c1
InChIInChI=1S/C18H30O/c1-6-8-15-9-7-10-16(12-15)17(19)11-14(2)13-18(3,4)5/h7,9-10,12,14,17,19H,6,8,11,13H2,1-5H3
InChIKeyLDBQWNJYCYKRCO-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.13
Rot. Bonds6

About 3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol

3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol (PubChem CID 115838115) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol.

Molecular Properties

Compound Name3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol
PubChem CID115838115
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol
SMILESCCCc1cccc(C(O)CC(C)CC(C)(C)C)c1
InChIInChI=1S/C18H30O/c1-6-8-15-9-7-10-16(12-15)17(19)11-14(2)13-18(3,4)5/h7,9-10,12,14,17,19H,6,8,11,13H2,1-5H3
InChIKeyLDBQWNJYCYKRCO-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 115838493
2-methyl-1-(3-propylphenyl)butane-1,2-diol
CID 103448692
3,5,5-trimethyl-1-(4-propoxyphenyl)hexan-1-ol
CID 115795331
1-(3-propylphenyl)ethanamine
CID 116543909
3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine
CID 43138780
3-methyl-1-(3-propylphenyl)pentan-1-amine
CID 105050445
2-phenoxy-1-(3-propylphenyl)ethanol
CID 116543555
1-(3-butylphenyl)butan-1-ol
CID 158563510
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
1-(3-chlorobutan-2-yl)-3-propylbenzene
CID 116545543
3-methyl-1-(4-propylphenyl)pentan-1-ol
CID 114875906
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol?
The IUPAC name of 3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol (CID 115838115) is 3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol.
What is the SMILES notation for 3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol?
The canonical SMILES for 3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol is CCCc1cccc(C(O)CC(C)CC(C)(C)C)c1.
What is the InChIKey of 3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol?
The InChIKey is LDBQWNJYCYKRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-6-8-15-9-7-10-16(12-15)17(19)11-14(2)13-18(3,4)5/h7,9-10,12,14,17,19H,6,8,11,13H2,1-5H3.
What are the key properties of 3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol?
3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol has a molecular weight of 262.44 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol is sourced from PubChem (CID 115838115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).