(4R)-4-methylheptan-3-ol

C8H18O — CID 12799251

IUPAC(4R)-4-methylheptan-3-ol
SMILESCCC[C@@H](C)C(O)CC
InChIInChI=1S/C8H18O/c1-4-6-7(3)8(9)5-2/h7-9H,4-6H2,1-3H3/t7-,8?/m1/s1
InChIKeyBKQICAFAUMRYLZ-GVHYBUMESA-N
MW130.23 g/mol
LogP2.19
Rot. Bonds4

About (4R)-4-methylheptan-3-ol

(4R)-4-methylheptan-3-ol (PubChem CID 12799251) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is (4R)-4-methylheptan-3-ol.

Molecular Properties

Compound Name(4R)-4-methylheptan-3-ol
PubChem CID12799251
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name(4R)-4-methylheptan-3-ol
SMILESCCC[C@@H](C)C(O)CC
InChIInChI=1S/C8H18O/c1-4-6-7(3)8(9)5-2/h7-9H,4-6H2,1-3H3/t7-,8?/m1/s1
InChIKeyBKQICAFAUMRYLZ-GVHYBUMESA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyltricosan-3-ol
CID 171485506
4-methyltetratriacontan-3-ol
CID 170847937
(3R,4R)-6-amino-4-methylhexan-3-ol
CID 96637634
(2R)-3-methylhexan-2-ol
CID 88692749
4,7,7-trimethyloctan-3-ol
CID 63562017
1-(dimethylamino)-3-methylhexan-2-ol
CID 107892980
4-methyltetradecan-5-ol
CID 65149403
5-methylheptane-3,4-diol
CID 21486220
ethane;5-methyloct-1-en-4-ol
CID 142059047
(3S)-4-propan-2-ylheptan-3-ol
CID 59039542
3-methyl-1-phenylhexan-2-ol
CID 63018482
(3R)-3,4-dimethylheptane
CID 59819300

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methylheptan-3-ol?
The IUPAC name of (4R)-4-methylheptan-3-ol (CID 12799251) is (4R)-4-methylheptan-3-ol.
What is the SMILES notation for (4R)-4-methylheptan-3-ol?
The canonical SMILES for (4R)-4-methylheptan-3-ol is CCC[C@@H](C)C(O)CC.
What is the InChIKey of (4R)-4-methylheptan-3-ol?
The InChIKey is BKQICAFAUMRYLZ-GVHYBUMESA-N. The full InChI is InChI=1S/C8H18O/c1-4-6-7(3)8(9)5-2/h7-9H,4-6H2,1-3H3/t7-,8?/m1/s1.
What are the key properties of (4R)-4-methylheptan-3-ol?
(4R)-4-methylheptan-3-ol has a molecular weight of 130.23 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methylheptan-3-ol is sourced from PubChem (CID 12799251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).