2-butan-2-ylheptan-1-ol

C11H24O — CID 86041006

IUPAC2-butan-2-ylheptan-1-ol
SMILESCCCCCC(CO)C(C)CC
InChIInChI=1S/C11H24O/c1-4-6-7-8-11(9-12)10(3)5-2/h10-12H,4-9H2,1-3H3
InChIKeyPLSJQWHQJQOBRB-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds7

About 2-butan-2-ylheptan-1-ol

2-butan-2-ylheptan-1-ol (PubChem CID 86041006) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2-butan-2-ylheptan-1-ol.

Molecular Properties

Compound Name2-butan-2-ylheptan-1-ol
PubChem CID86041006
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2-butan-2-ylheptan-1-ol
SMILESCCCCCC(CO)C(C)CC
InChIInChI=1S/C11H24O/c1-4-6-7-8-11(9-12)10(3)5-2/h10-12H,4-9H2,1-3H3
InChIKeyPLSJQWHQJQOBRB-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pentan-2-ylnonan-1-ol
CID 23316007
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639
4-ethyl-3-methylundecane
CID 57279647
4-butan-2-yloctan-1-ol
CID 57029732
5-butan-2-yl-3-methyldecane
CID 123136840
9,10-diethyloctadecane
CID 530164
5-ethyl-6-methyloctan-1-ol
CID 89076022
5-ethyl-4-[(3-ethyl-2-propyloctoxy)methyl]decane;propane-1,2-diol
CID 18962822
2-heptacosan-14-ylbutane-1,4-diol
CID 89333214
16-butan-2-ylhexacos-6-yne
CID 22223780
8-butan-2-yl-4-methyltetradecane
CID 123224994
8-butan-2-yl-6-ethylpentadecane
CID 123398993

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylheptan-1-ol?
The IUPAC name of 2-butan-2-ylheptan-1-ol (CID 86041006) is 2-butan-2-ylheptan-1-ol.
What is the SMILES notation for 2-butan-2-ylheptan-1-ol?
The canonical SMILES for 2-butan-2-ylheptan-1-ol is CCCCCC(CO)C(C)CC.
What is the InChIKey of 2-butan-2-ylheptan-1-ol?
The InChIKey is PLSJQWHQJQOBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-4-6-7-8-11(9-12)10(3)5-2/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-butan-2-ylheptan-1-ol?
2-butan-2-ylheptan-1-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylheptan-1-ol is sourced from PubChem (CID 86041006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).