(Z,3S)-3,7-dimethylnon-6-en-1-ol

C11H22O — CID 156871638

IUPAC(Z,3S)-3,7-dimethylnon-6-en-1-ol
SMILESCC/C(C)=C\CC[C@H](C)CCO
InChIInChI=1S/C11H22O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,11-12H,4-5,7-9H2,1-3H3/b10-6-/t11-/m0/s1
InChIKeyAKGNHAWSXXEAPG-YAEJEKNGSA-N
MW170.30 g/mol
LogP3.14
Rot. Bonds6

About (Z,3S)-3,7-dimethylnon-6-en-1-ol

(Z,3S)-3,7-dimethylnon-6-en-1-ol (PubChem CID 156871638) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (Z,3S)-3,7-dimethylnon-6-en-1-ol.

Molecular Properties

Compound Name(Z,3S)-3,7-dimethylnon-6-en-1-ol
PubChem CID156871638
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(Z,3S)-3,7-dimethylnon-6-en-1-ol
SMILESCC/C(C)=C\CC[C@H](C)CCO
InChIInChI=1S/C11H22O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,11-12H,4-5,7-9H2,1-3H3/b10-6-/t11-/m0/s1
InChIKeyAKGNHAWSXXEAPG-YAEJEKNGSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.14
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

(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane
CID 175717951
3,7,10-trimethylundec-3-ene
CID 91082560
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
(E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid
CID 6476237
(6E)-3,7-dimethyldodeca-6,11-dien-1-ol
CID 21160167
nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol
CID 174923071
(5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one
CID 162767085
8,8,8-trifluoro-3,7-dimethyloct-6-en-1-ol
CID 123639107
3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane
CID 174687264

Frequently Asked Questions

What is the IUPAC name of (Z,3S)-3,7-dimethylnon-6-en-1-ol?
The IUPAC name of (Z,3S)-3,7-dimethylnon-6-en-1-ol (CID 156871638) is (Z,3S)-3,7-dimethylnon-6-en-1-ol.
What is the SMILES notation for (Z,3S)-3,7-dimethylnon-6-en-1-ol?
The canonical SMILES for (Z,3S)-3,7-dimethylnon-6-en-1-ol is CC/C(C)=C\CC[C@H](C)CCO.
What is the InChIKey of (Z,3S)-3,7-dimethylnon-6-en-1-ol?
The InChIKey is AKGNHAWSXXEAPG-YAEJEKNGSA-N. The full InChI is InChI=1S/C11H22O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,11-12H,4-5,7-9H2,1-3H3/b10-6-/t11-/m0/s1.
What are the key properties of (Z,3S)-3,7-dimethylnon-6-en-1-ol?
(Z,3S)-3,7-dimethylnon-6-en-1-ol has a molecular weight of 170.30 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-3,7-dimethylnon-6-en-1-ol is sourced from PubChem (CID 156871638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).