1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol

C17H34O — CID 65085643

IUPAC1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol
SMILESCCCCC(CC)CC1(O)CCCC(C)(C)CC1
InChIInChI=1S/C17H34O/c1-5-7-9-15(6-2)14-17(18)11-8-10-16(3,4)12-13-17/h15,18H,5-14H2,1-4H3
InChIKeySOTRNSZGTLAQTN-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.31
Rot. Bonds6

About 1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol

1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol (PubChem CID 65085643) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol
PubChem CID65085643
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol
SMILESCCCCC(CC)CC1(O)CCCC(C)(C)CC1
InChIInChI=1S/C17H34O/c1-5-7-9-15(6-2)14-17(18)11-8-10-16(3,4)12-13-17/h15,18H,5-14H2,1-4H3
InChIKeySOTRNSZGTLAQTN-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylhexyl)cycloheptan-1-ol
CID 63406622
1-(2-ethylhexyl)cyclohexan-1-ol
CID 63409044
1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65121102
1-(2-ethylhexyl)-4-propylcycloheptan-1-ol
CID 65090653
4-(2-ethylhexyl)-1-methylazepan-4-ol
CID 65075552
3-(2-ethylhexyl)pyrrolidin-3-ol
CID 63587547
1-(2-ethylhexyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314453
3-amino-1-(2-ethylhexyl)cyclobutan-1-ol
CID 80561259
3-(2-ethylhexyl)-3-methylcyclopentan-1-ol
CID 116539984
1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane
CID 123492953
1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
3-(2-ethylhexyl)-5-methylthiolan-3-ol
CID 79950398

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol?
The IUPAC name of 1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol (CID 65085643) is 1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol.
What is the SMILES notation for 1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol?
The canonical SMILES for 1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol is CCCCC(CC)CC1(O)CCCC(C)(C)CC1.
What is the InChIKey of 1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol?
The InChIKey is SOTRNSZGTLAQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-5-7-9-15(6-2)14-17(18)11-8-10-16(3,4)12-13-17/h15,18H,5-14H2,1-4H3.
What are the key properties of 1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol?
1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol has a molecular weight of 254.46 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol is sourced from PubChem (CID 65085643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).