(E)-3-methyloct-6-en-1-ol

C9H18O — CID 14091580

IUPAC(E)-3-methyloct-6-en-1-ol
SMILESC/C=C/CCC(C)CCO
InChIInChI=1S/C9H18O/c1-3-4-5-6-9(2)7-8-10/h3-4,9-10H,5-8H2,1-2H3/b4-3+
InChIKeyATNLQUNMECVMJZ-ONEGZZNKSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds5

About (E)-3-methyloct-6-en-1-ol

(E)-3-methyloct-6-en-1-ol (PubChem CID 14091580) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-3-methyloct-6-en-1-ol.

Molecular Properties

Compound Name(E)-3-methyloct-6-en-1-ol
PubChem CID14091580
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-3-methyloct-6-en-1-ol
SMILESC/C=C/CCC(C)CCO
InChIInChI=1S/C9H18O/c1-3-4-5-6-9(2)7-8-10/h3-4,9-10H,5-8H2,1-2H3/b4-3+
InChIKeyATNLQUNMECVMJZ-ONEGZZNKSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.36
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

6-methylnon-2-ene
CID 21361194
(3R,5S)-dec-8-ene-1,3,5-triol
CID 57253187
hept-5-en-2-amine
CID 72784707
(Z)-8-imino-3-methylnon-6-en-1-ol
CID 134553932
2-methylnon-7-en-4-ol
CID 71320713
(7E)-4-methylnona-1,7-diene
CID 173060914
(E)-2-methylnon-7-en-4-ol
CID 13244820
(6E)-3-methylocta-1,6-diene
CID 14140905
tetrakis(pent-3-enyl)phosphanium
CID 154314281
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
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

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyloct-6-en-1-ol?
The IUPAC name of (E)-3-methyloct-6-en-1-ol (CID 14091580) is (E)-3-methyloct-6-en-1-ol.
What is the SMILES notation for (E)-3-methyloct-6-en-1-ol?
The canonical SMILES for (E)-3-methyloct-6-en-1-ol is C/C=C/CCC(C)CCO.
What is the InChIKey of (E)-3-methyloct-6-en-1-ol?
The InChIKey is ATNLQUNMECVMJZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H18O/c1-3-4-5-6-9(2)7-8-10/h3-4,9-10H,5-8H2,1-2H3/b4-3+.
What are the key properties of (E)-3-methyloct-6-en-1-ol?
(E)-3-methyloct-6-en-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyloct-6-en-1-ol is sourced from PubChem (CID 14091580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).