3-propylheptan-1-ol

C10H22O — CID 22492543

IUPAC3-propylheptan-1-ol
SMILESCCCCC(CCC)CCO
InChIInChI=1S/C10H22O/c1-3-5-7-10(6-4-2)8-9-11/h10-11H,3-9H2,1-2H3
InChIKeyUYZVDMGEEIRMSK-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.98
Rot. Bonds7

About 3-propylheptan-1-ol

3-propylheptan-1-ol (PubChem CID 22492543) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-propylheptan-1-ol.

Molecular Properties

Compound Name3-propylheptan-1-ol
PubChem CID22492543
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-propylheptan-1-ol
SMILESCCCCC(CCC)CCO
InChIInChI=1S/C10H22O/c1-3-5-7-10(6-4-2)8-9-11/h10-11H,3-9H2,1-2H3
InChIKeyUYZVDMGEEIRMSK-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-propyloctan-1-ol
CID 22492569
3-butyldodecan-1-ol
CID 118576685
3-butylundecan-1-ol
CID 13109026
ethane;3-propylhexan-1-ol
CID 142096808
3-octyltridecan-1-ol
CID 13109029
3-pentylundecan-1-ol
CID 118576679
5-ethylnonane;5-propylnonane
CID 157441807
5,9-dibutyl-13-propylheptadecane
CID 58862392
methane;4-propyloctane
CID 160687994
3-(iodomethyl)heptan-1-ol
CID 89011872
3-octyldodecane-1,12-diol
CID 141481121
(E)-8-propyldodec-3-en-1-ol
CID 22480549

Frequently Asked Questions

What is the IUPAC name of 3-propylheptan-1-ol?
The IUPAC name of 3-propylheptan-1-ol (CID 22492543) is 3-propylheptan-1-ol.
What is the SMILES notation for 3-propylheptan-1-ol?
The canonical SMILES for 3-propylheptan-1-ol is CCCCC(CCC)CCO.
What is the InChIKey of 3-propylheptan-1-ol?
The InChIKey is UYZVDMGEEIRMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-3-5-7-10(6-4-2)8-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-propylheptan-1-ol?
3-propylheptan-1-ol has a molecular weight of 158.28 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylheptan-1-ol is sourced from PubChem (CID 22492543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).