(3S)-3,4,4-trimethylpentan-1-ol

C8H18O — CID 124507131

IUPAC(3S)-3,4,4-trimethylpentan-1-ol
SMILESC[C@@H](CCO)C(C)(C)C
InChIInChI=1S/C8H18O/c1-7(5-6-9)8(2,3)4/h7,9H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyFQNYRSRCONKFCN-ZETCQYMHSA-N
MW130.23 g/mol
LogP2.05
Rot. Bonds2

About (3S)-3,4,4-trimethylpentan-1-ol

(3S)-3,4,4-trimethylpentan-1-ol (PubChem CID 124507131) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is (3S)-3,4,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name(3S)-3,4,4-trimethylpentan-1-ol
PubChem CID124507131
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name(3S)-3,4,4-trimethylpentan-1-ol
SMILESC[C@@H](CCO)C(C)(C)C
InChIInChI=1S/C8H18O/c1-7(5-6-9)8(2,3)4/h7,9H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyFQNYRSRCONKFCN-ZETCQYMHSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-4-amino-3,4-dimethylpentan-1-ol
CID 97030968
2,2,3-trimethylpentane-1,5-diol
CID 57197180
2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
CID 158433518
3,4-ditert-butylhexane-1,6-diol
CID 174460247
4-ethyl-4-(4-hydroxybutan-2-yl)-3,5-dimethylheptane-1,7-diol
CID 18724695
4-methyl-3-propan-2-ylpentan-1-ol
CID 20683771
4,4-dimethyl-3-silylpentan-1-ol
CID 175474328
(E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol
CID 159142571
3,6,6-trimethylheptane-1,5-diol
CID 78070326
(3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol
CID 103871778
2,2,3,8,8-pentamethylnonane
CID 57491849
2,2,3-trimethylundecane
CID 21285055

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4,4-trimethylpentan-1-ol?
The IUPAC name of (3S)-3,4,4-trimethylpentan-1-ol (CID 124507131) is (3S)-3,4,4-trimethylpentan-1-ol.
What is the SMILES notation for (3S)-3,4,4-trimethylpentan-1-ol?
The canonical SMILES for (3S)-3,4,4-trimethylpentan-1-ol is C[C@@H](CCO)C(C)(C)C.
What is the InChIKey of (3S)-3,4,4-trimethylpentan-1-ol?
The InChIKey is FQNYRSRCONKFCN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18O/c1-7(5-6-9)8(2,3)4/h7,9H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of (3S)-3,4,4-trimethylpentan-1-ol?
(3S)-3,4,4-trimethylpentan-1-ol has a molecular weight of 130.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4,4-trimethylpentan-1-ol is sourced from PubChem (CID 124507131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).