(3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol

C11H16O2 — CID 144936918

IUPAC(3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C\C=C(/C)OCC1CC1
InChIInChI=1S/C11H16O2/c1-3-11(12)7-4-9(2)13-8-10-5-6-10/h3-4,7,10,12H,1,5-6,8H2,2H3/b9-4+,11-7+
InChIKeyLPPBZJOVMAHFJD-BFFNUNQPSA-N
MW180.25 g/mol
LogP2.94
Rot. Bonds5

About (3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol

(3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol (PubChem CID 144936918) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol
PubChem CID144936918
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C\C=C(/C)OCC1CC1
InChIInChI=1S/C11H16O2/c1-3-11(12)7-4-9(2)13-8-10-5-6-10/h3-4,7,10,12H,1,5-6,8H2,2H3/b9-4+,11-7+
InChIKeyLPPBZJOVMAHFJD-BFFNUNQPSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

cyclopropylmethyl acetate
CID 538333
(3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol
CID 88877979
1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane
CID 143291802
[4-(ethenoxymethyl)cyclohexyl]methyl propanoate
CID 139924824
2-methyl-3-[[4-(4-prop-2-enylcyclohexyl)cyclohexyl]methoxy]hexa-2,5-dienoic acid
CID 70388811
cyclopropylmethyl 3-oxobutanoate
CID 10012135
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447
4-[4-(ethenoxymethyl)cyclohexyl]-2-methylbut-2-enoic acid
CID 67281746
4-[[4-(3-carboxyprop-2-enoyloxymethyl)cyclohexyl]methoxy]-4-oxobut-2-enoic acid
CID 91371568
ethane;(4-methylcyclohexyl)methyl acetate
CID 144507702
cyclopropylmethyl (E)-but-2-enoate
CID 15625753
1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane
CID 22917925

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol?
The IUPAC name of (3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol (CID 144936918) is (3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol.
What is the SMILES notation for (3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol?
The canonical SMILES for (3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol is C=C/C(O)=C\C=C(/C)OCC1CC1.
What is the InChIKey of (3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol?
The InChIKey is LPPBZJOVMAHFJD-BFFNUNQPSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-11(12)7-4-9(2)13-8-10-5-6-10/h3-4,7,10,12H,1,5-6,8H2,2H3/b9-4+,11-7+.
What are the key properties of (3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol?
(3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol has a molecular weight of 180.25 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol is sourced from PubChem (CID 144936918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).