ethane;5-methyloct-1-en-4-ol

C11H24O — CID 142059047

IUPACethane;5-methyloct-1-en-4-ol
SMILESC=CCC(O)C(C)CCC.CC
InChIInChI=1S/C9H18O.C2H6/c1-4-6-8(3)9(10)7-5-2;1-2/h5,8-10H,2,4,6-7H2,1,3H3;1-2H3
InChIKeyCOAYNRNFHYVHBS-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.39
Rot. Bonds5

About ethane;5-methyloct-1-en-4-ol

ethane;5-methyloct-1-en-4-ol (PubChem CID 142059047) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is ethane;5-methyloct-1-en-4-ol.

Molecular Properties

Compound Nameethane;5-methyloct-1-en-4-ol
PubChem CID142059047
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Nameethane;5-methyloct-1-en-4-ol
SMILESC=CCC(O)C(C)CCC.CC
InChIInChI=1S/C9H18O.C2H6/c1-4-6-8(3)9(10)7-5-2;1-2/h5,8-10H,2,4,6-7H2,1,3H3;1-2H3
InChIKeyCOAYNRNFHYVHBS-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
(4R)-4-methylheptan-3-ol
CID 12799251
3-methylhept-6-ene-2,4-diol
CID 66895376
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
CID 59076573
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
(E)-5-hydroxy-2,6-dimethylnon-2-enal
CID 87291633
(2R)-3-methylhexan-2-ol
CID 88692749
(4S,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol
CID 102410954
1-(hept-1-en-4-ylamino)propan-2-ol
CID 4712407
(4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol
CID 102410953
2-propylpent-4-en-1-ol
CID 15525342
methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol
CID 157073054

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyloct-1-en-4-ol?
The IUPAC name of ethane;5-methyloct-1-en-4-ol (CID 142059047) is ethane;5-methyloct-1-en-4-ol.
What is the SMILES notation for ethane;5-methyloct-1-en-4-ol?
The canonical SMILES for ethane;5-methyloct-1-en-4-ol is C=CCC(O)C(C)CCC.CC.
What is the InChIKey of ethane;5-methyloct-1-en-4-ol?
The InChIKey is COAYNRNFHYVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C2H6/c1-4-6-8(3)9(10)7-5-2;1-2/h5,8-10H,2,4,6-7H2,1,3H3;1-2H3.
What are the key properties of ethane;5-methyloct-1-en-4-ol?
ethane;5-methyloct-1-en-4-ol has a molecular weight of 172.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyloct-1-en-4-ol is sourced from PubChem (CID 142059047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).