(4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol

C10H16O2 — CID 10920912

IUPAC(4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol
SMILESC=CC[C@H](OC)C(O)(C=C)C=C
InChIInChI=1S/C10H16O2/c1-5-8-9(12-4)10(11,6-2)7-3/h5-7,9,11H,1-3,8H2,4H3/t9-/m0/s1
InChIKeyJANBUUYCILMNIX-VIFPVBQESA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds6

About (4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol

(4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol (PubChem CID 10920912) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol.

Molecular Properties

Compound Name(4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol
PubChem CID10920912
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol
SMILESC=CC[C@H](OC)C(O)(C=C)C=C
InChIInChI=1S/C10H16O2/c1-5-8-9(12-4)10(11,6-2)7-3/h5-7,9,11H,1-3,8H2,4H3/t9-/m0/s1
InChIKeyJANBUUYCILMNIX-VIFPVBQESA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3,7-Dimethyl-1,6-octadiene-3,4-diol
CID 15895321
(3R,4R)-3,7-dimethylocta-1,6-diene-3,4-diol
CID 134969158
1,6-Octadiene-3,4-diol, 3,7-dimethyl-
CID 155077
3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-ol
CID 10877518
2-(1-Hydroxy-1-methylethyl)dihydrofuran
CID 68849052
(3R,4R)-4-methoxy-2-methylhex-5-en-3-ol
CID 12755469
(3S,4R)-3-methylhex-1-ene-3,4-diol
CID 44516069
3-(1-Prop-2-enoxyethyl)penta-1,4-dien-3-ol
CID 85299270
(2S)-1-methoxy-3,5-dimethylnona-3,4,8-trien-2-ol
CID 102376969
2-Methyl-4-propan-2-yloxyhex-5-en-3-ol
CID 134905984
(4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol
CID 135038994
(3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol
CID 10797518

Frequently Asked Questions

What is the IUPAC name of (4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol?
The IUPAC name of (4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol (CID 10920912) is (4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol.
What is the SMILES notation for (4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol?
The canonical SMILES for (4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol is C=CC[C@H](OC)C(O)(C=C)C=C.
What is the InChIKey of (4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol?
The InChIKey is JANBUUYCILMNIX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16O2/c1-5-8-9(12-4)10(11,6-2)7-3/h5-7,9,11H,1-3,8H2,4H3/t9-/m0/s1.
What are the key properties of (4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol?
(4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol has a molecular weight of 168.24 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol is sourced from PubChem (CID 10920912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).