(Z,3S)-2,2-dimethyloct-5-en-3-ol

C10H20O — CID 158993926

IUPAC(Z,3S)-2,2-dimethyloct-5-en-3-ol
SMILESCC/C=C\C[C@H](O)C(C)(C)C
InChIInChI=1S/C10H20O/c1-5-6-7-8-9(11)10(2,3)4/h6-7,9,11H,5,8H2,1-4H3/b7-6-/t9-/m0/s1
InChIKeyJQMSKIBJIASWHV-NMTCXDENSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds3

About (Z,3S)-2,2-dimethyloct-5-en-3-ol

(Z,3S)-2,2-dimethyloct-5-en-3-ol (PubChem CID 158993926) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (Z,3S)-2,2-dimethyloct-5-en-3-ol.

Molecular Properties

Compound Name(Z,3S)-2,2-dimethyloct-5-en-3-ol
PubChem CID158993926
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(Z,3S)-2,2-dimethyloct-5-en-3-ol
SMILESCC/C=C\C[C@H](O)C(C)(C)C
InChIInChI=1S/C10H20O/c1-5-6-7-8-9(11)10(2,3)4/h6-7,9,11H,5,8H2,1-4H3/b7-6-/t9-/m0/s1
InChIKeyJQMSKIBJIASWHV-NMTCXDENSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
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

(E)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-ol
CID 10608115
6-deuterio-6-methylhept-3-ene;2,2-dimethylpropane
CID 159586775
(E,2S,4S)-non-6-ene-2,4-diol
CID 102156036
tert-butyl N-[(E,2R)-2-hydroxyhept-4-enyl]carbamate
CID 10489591
(E,3R)-3-hydroxy-2,2-dimethyloct-5-en-4-one
CID 124705258
7,7,7-trifluoro-6-methylhept-3-ene
CID 57248627
(3R)-2,2-dimethylhexan-3-ol
CID 7004855
(E)-1,1-dibromohex-3-ene
CID 87991794
(Z)-1,1-dibromohex-3-ene
CID 175999382
hex-3-ene;sulfane
CID 174453265
hex-3-ene;hydrochloride
CID 159012047
(2E,6E)-4-hydroxynona-2,6-dienal
CID 6438523

Frequently Asked Questions

What is the IUPAC name of (Z,3S)-2,2-dimethyloct-5-en-3-ol?
The IUPAC name of (Z,3S)-2,2-dimethyloct-5-en-3-ol (CID 158993926) is (Z,3S)-2,2-dimethyloct-5-en-3-ol.
What is the SMILES notation for (Z,3S)-2,2-dimethyloct-5-en-3-ol?
The canonical SMILES for (Z,3S)-2,2-dimethyloct-5-en-3-ol is CC/C=C\C[C@H](O)C(C)(C)C.
What is the InChIKey of (Z,3S)-2,2-dimethyloct-5-en-3-ol?
The InChIKey is JQMSKIBJIASWHV-NMTCXDENSA-N. The full InChI is InChI=1S/C10H20O/c1-5-6-7-8-9(11)10(2,3)4/h6-7,9,11H,5,8H2,1-4H3/b7-6-/t9-/m0/s1.
What are the key properties of (Z,3S)-2,2-dimethyloct-5-en-3-ol?
(Z,3S)-2,2-dimethyloct-5-en-3-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-2,2-dimethyloct-5-en-3-ol is sourced from PubChem (CID 158993926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).