3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol

C17H34O — CID 90951781

IUPAC3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol
SMILESCC(C)C1CC(C)C(C(C)C)C(O)C(C(C)C)C1
InChIInChI=1S/C17H34O/c1-10(2)14-8-13(7)16(12(5)6)17(18)15(9-14)11(3)4/h10-18H,8-9H2,1-7H3
InChIKeyDMFUEWFBFFRJNX-UHFFFAOYSA-N
MW254.46 g/mol
LogP4.59
Rot. Bonds3

About 3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol

3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol (PubChem CID 90951781) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol
PubChem CID90951781
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol
SMILESCC(C)C1CC(C)C(C(C)C)C(O)C(C(C)C)C1
InChIInChI=1S/C17H34O/c1-10(2)14-8-13(7)16(12(5)6)17(18)15(9-14)11(3)4/h10-18H,8-9H2,1-7H3
InChIKeyDMFUEWFBFFRJNX-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane
CID 142893702
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
CID 90791175
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687
trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol
CID 6431599
2,3,5-trimethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534517
1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane
CID 143343617
(2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol
CID 101233918
4-amino-2,6-di(propan-2-yl)cyclohexan-1-ol
CID 58351133
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
(1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol
CID 25187162

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol?
The IUPAC name of 3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol (CID 90951781) is 3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol.
What is the SMILES notation for 3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol?
The canonical SMILES for 3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol is CC(C)C1CC(C)C(C(C)C)C(O)C(C(C)C)C1.
What is the InChIKey of 3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol?
The InChIKey is DMFUEWFBFFRJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-10(2)14-8-13(7)16(12(5)6)17(18)15(9-14)11(3)4/h10-18H,8-9H2,1-7H3.
What are the key properties of 3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol?
3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol has a molecular weight of 254.46 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol is sourced from PubChem (CID 90951781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).