ethane;3-propylhexan-1-ol

C11H26O — CID 142096808

IUPACethane;3-propylhexan-1-ol
SMILESCC.CCCC(CCC)CCO
InChIInChI=1S/C9H20O.C2H6/c1-3-5-9(6-4-2)7-8-10;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyTVJYHOTXGIKLGD-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.61
Rot. Bonds6

About ethane;3-propylhexan-1-ol

ethane;3-propylhexan-1-ol (PubChem CID 142096808) has the molecular formula C11H26O and a molecular weight of 174.33 g/mol. Its IUPAC name is ethane;3-propylhexan-1-ol.

Molecular Properties

Compound Nameethane;3-propylhexan-1-ol
PubChem CID142096808
Molecular FormulaC11H26O
Molecular Weight174.33 g/mol
Exact Mass174.20
IUPAC Nameethane;3-propylhexan-1-ol
SMILESCC.CCCC(CCC)CCO
InChIInChI=1S/C9H20O.C2H6/c1-3-5-9(6-4-2)7-8-10;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyTVJYHOTXGIKLGD-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-propylheptan-1-ol
CID 22492543
3-propyloctan-1-ol
CID 22492569
2,2-diethylpropane-1,3-diol;3-propylpentane-1,5-diol
CID 159824502
(3S)-3-(aminomethyl)hexan-1-ol
CID 95566845
4-(2-hydroxyethyl)heptan-2-one
CID 143211527
3-pentylundecan-1-ol
CID 118576679
3-octyltridecan-1-ol
CID 13109029
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
3-butylundecan-1-ol
CID 13109026
3-butyldodecan-1-ol
CID 118576685
5-ethyloctan-1-ol
CID 22492547
18-ethylhenicosan-1-ol
CID 87097708

Frequently Asked Questions

What is the IUPAC name of ethane;3-propylhexan-1-ol?
The IUPAC name of ethane;3-propylhexan-1-ol (CID 142096808) is ethane;3-propylhexan-1-ol.
What is the SMILES notation for ethane;3-propylhexan-1-ol?
The canonical SMILES for ethane;3-propylhexan-1-ol is CC.CCCC(CCC)CCO.
What is the InChIKey of ethane;3-propylhexan-1-ol?
The InChIKey is TVJYHOTXGIKLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C2H6/c1-3-5-9(6-4-2)7-8-10;1-2/h9-10H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;3-propylhexan-1-ol?
ethane;3-propylhexan-1-ol has a molecular weight of 174.33 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propylhexan-1-ol is sourced from PubChem (CID 142096808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).