(5R)-5,9-dimethyldeca-1,8-dien-3-ol

C12H22O — CID 10986927

IUPAC(5R)-5,9-dimethyldeca-1,8-dien-3-ol
SMILESC=CC(O)C[C@H](C)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h5,7,11-13H,1,6,8-9H2,2-4H3/t11-,12?/m1/s1
InChIKeyBNOYHAFSQXFIJN-JHJMLUEUSA-N
MW182.31 g/mol
LogP3.31
Rot. Bonds6

About (5R)-5,9-dimethyldeca-1,8-dien-3-ol

(5R)-5,9-dimethyldeca-1,8-dien-3-ol (PubChem CID 10986927) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (5R)-5,9-dimethyldeca-1,8-dien-3-ol.

Molecular Properties

Compound Name(5R)-5,9-dimethyldeca-1,8-dien-3-ol
PubChem CID10986927
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(5R)-5,9-dimethyldeca-1,8-dien-3-ol
SMILESC=CC(O)C[C@H](C)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h5,7,11-13H,1,6,8-9H2,2-4H3/t11-,12?/m1/s1
InChIKeyBNOYHAFSQXFIJN-JHJMLUEUSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.31
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

(2Z,4S,6R)-6,10-dimethylundeca-2,9-dien-4-ol
CID 139824549
6,10-dimethylundeca-1,9-dien-4-ol
CID 11019804
(6S)-6,10-dimethylundeca-1,9-dien-4-ol
CID 11030747
5,9-dimethyldeca-1,8-diene
CID 12578605
(4S,6S)-6,10-dimethylundeca-1,9-dien-4-amine
CID 11954735
2-hydroxy-4,8-dimethylnon-7-enenitrile
CID 59050259
7-methyl-3-propan-2-ylocta-1,6-diene
CID 59961464
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
(3S,7R,9S)-2,9,13-trimethyl-5-methylidenetetradec-12-ene-3,7-diol
CID 138976111
(3S)-5-methyloct-1-en-7-yn-3-ol
CID 170044483
3,7-dimethyloct-6-enenitrile
CID 89052536
3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine
CID 138519610

Frequently Asked Questions

What is the IUPAC name of (5R)-5,9-dimethyldeca-1,8-dien-3-ol?
The IUPAC name of (5R)-5,9-dimethyldeca-1,8-dien-3-ol (CID 10986927) is (5R)-5,9-dimethyldeca-1,8-dien-3-ol.
What is the SMILES notation for (5R)-5,9-dimethyldeca-1,8-dien-3-ol?
The canonical SMILES for (5R)-5,9-dimethyldeca-1,8-dien-3-ol is C=CC(O)C[C@H](C)CCC=C(C)C.
What is the InChIKey of (5R)-5,9-dimethyldeca-1,8-dien-3-ol?
The InChIKey is BNOYHAFSQXFIJN-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H22O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h5,7,11-13H,1,6,8-9H2,2-4H3/t11-,12?/m1/s1.
What are the key properties of (5R)-5,9-dimethyldeca-1,8-dien-3-ol?
(5R)-5,9-dimethyldeca-1,8-dien-3-ol has a molecular weight of 182.31 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,9-dimethyldeca-1,8-dien-3-ol is sourced from PubChem (CID 10986927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).