1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane

C15H22O — CID 154722454

IUPAC1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane
SMILESC=CCOCC#CCCC1CCCCC1=C
InChIInChI=1S/C15H22O/c1-3-12-16-13-8-4-5-10-15-11-7-6-9-14(15)2/h3,15H,1-2,5-7,9-13H2
InChIKeyNNYYFQOXXDWVFM-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.72
Rot. Bonds5

About 1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane

1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane (PubChem CID 154722454) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane.

Molecular Properties

Compound Name1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane
PubChem CID154722454
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane
SMILESC=CCOCC#CCCC1CCCCC1=C
InChIInChI=1S/C15H22O/c1-3-12-16-13-8-4-5-10-15-11-7-6-9-14(15)2/h3,15H,1-2,5-7,9-13H2
InChIKeyNNYYFQOXXDWVFM-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-methylidene-2-propylcyclohexane
CID 134991246
2-(2-methylidenecyclohexyl)acetaldehyde
CID 11344057
2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane
CID 14785781
1-bromo-4-prop-2-enoxybut-2-yne
CID 10511841
2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine
CID 126599217
2-prop-2-enylcyclohexane-1-thione
CID 173030397
4-methyl-1-prop-2-enoxypent-2-yne
CID 57470526
(2-methylidenecyclopentyl)methanol;hydrochloride
CID 142907473
1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane
CID 123849203
N-methoxy-N-methyl-2-[(1R)-2-methylidenecyclohexyl]acetamide
CID 135001013
3-[(1R,2Z)-2-(methoxymethylidene)cyclohexyl]propanenitrile
CID 10352267
1,1-bis(prop-2-enoxy)cyclohexane;2-prop-2-enylcyclohexan-1-one
CID 165014812

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane?
The IUPAC name of 1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane (CID 154722454) is 1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane.
What is the SMILES notation for 1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane?
The canonical SMILES for 1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane is C=CCOCC#CCCC1CCCCC1=C.
What is the InChIKey of 1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane?
The InChIKey is NNYYFQOXXDWVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-3-12-16-13-8-4-5-10-15-11-7-6-9-14(15)2/h3,15H,1-2,5-7,9-13H2.
What are the key properties of 1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane?
1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane has a molecular weight of 218.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-(5-prop-2-enoxypent-3-ynyl)cyclohexane is sourced from PubChem (CID 154722454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).