5-methoxy-3-methylocta-3,7-dien-2-ol

C10H18O2 — CID 54202946

IUPAC5-methoxy-3-methylocta-3,7-dien-2-ol
SMILESC=CCC(C=C(C)C(C)O)OC
InChIInChI=1S/C10H18O2/c1-5-6-10(12-4)7-8(2)9(3)11/h5,7,9-11H,1,6H2,2-4H3
InChIKeyPQNIOSMNKVYBAB-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.90
Rot. Bonds5

About 5-methoxy-3-methylocta-3,7-dien-2-ol

5-methoxy-3-methylocta-3,7-dien-2-ol (PubChem CID 54202946) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5-methoxy-3-methylocta-3,7-dien-2-ol.

Molecular Properties

Compound Name5-methoxy-3-methylocta-3,7-dien-2-ol
PubChem CID54202946
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5-methoxy-3-methylocta-3,7-dien-2-ol
SMILESC=CCC(C=C(C)C(C)O)OC
InChIInChI=1S/C10H18O2/c1-5-6-10(12-4)7-8(2)9(3)11/h5,7,9-11H,1,6H2,2-4H3
InChIKeyPQNIOSMNKVYBAB-UHFFFAOYSA-N
XLogP1.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.90
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

(2R)-1,1-dimethoxypent-4-en-2-ol
CID 102353171
(4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol
CID 58129544
(3E)-3-methylocta-3,7-dien-2-ol
CID 20501690
azane;pent-4-en-2-ol
CID 22149561
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143
(2S,6R)-6-methoxynon-8-en-2-ol
CID 46186048
(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
2-methoxypent-4-en-1-ol
CID 90985403
6-methoxyoct-7-en-2-ol
CID 11550053

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methylocta-3,7-dien-2-ol?
The IUPAC name of 5-methoxy-3-methylocta-3,7-dien-2-ol (CID 54202946) is 5-methoxy-3-methylocta-3,7-dien-2-ol.
What is the SMILES notation for 5-methoxy-3-methylocta-3,7-dien-2-ol?
The canonical SMILES for 5-methoxy-3-methylocta-3,7-dien-2-ol is C=CCC(C=C(C)C(C)O)OC.
What is the InChIKey of 5-methoxy-3-methylocta-3,7-dien-2-ol?
The InChIKey is PQNIOSMNKVYBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-6-10(12-4)7-8(2)9(3)11/h5,7,9-11H,1,6H2,2-4H3.
What are the key properties of 5-methoxy-3-methylocta-3,7-dien-2-ol?
5-methoxy-3-methylocta-3,7-dien-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methylocta-3,7-dien-2-ol is sourced from PubChem (CID 54202946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).