1-heptyl-2-methylidenecyclopropane

C11H20 — CID 173435427

IUPAC1-heptyl-2-methylidenecyclopropane
SMILESC=C1CC1CCCCCCC
InChIInChI=1S/C11H20/c1-3-4-5-6-7-8-11-9-10(11)2/h11H,2-9H2,1H3
InChIKeyFSGSUOHATBBSMX-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds6

About 1-heptyl-2-methylidenecyclopropane

1-heptyl-2-methylidenecyclopropane (PubChem CID 173435427) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-heptyl-2-methylidenecyclopropane.

Molecular Properties

Compound Name1-heptyl-2-methylidenecyclopropane
PubChem CID173435427
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-heptyl-2-methylidenecyclopropane
SMILESC=C1CC1CCCCCCC
InChIInChI=1S/C11H20/c1-3-4-5-6-7-8-11-9-10(11)2/h11H,2-9H2,1H3
InChIKeyFSGSUOHATBBSMX-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-4-methyl-2-methylidenecyclopentane
CID 143150354
2-pentadecylcyclopropan-1-one
CID 70874004
4-hexyl-5-methylideneoxolan-2-one
CID 46219169
1-ethylidene-2-nonylcyclopropane
CID 123774367
cis-methyl (1R,4R)-3-methylidene-4-pentylcyclopentane-1-carboxylate
CID 22214630
(4R)-4-hexylcyclopentane-1,3-dione
CID 162980596
3-dotriacontyloxolane-2,5-dione
CID 14694279
(3R)-3-hexyloxolane-2,5-dione
CID 3084893
3-tetratetracontyloxolane-2,5-dione
CID 14694291
3-hexylpyrrolidine-2,5-dione;hydrochloride
CID 70281671
(E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol
CID 142894506
3-dodecyloxetan-2-one
CID 165020567

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-2-methylidenecyclopropane?
The IUPAC name of 1-heptyl-2-methylidenecyclopropane (CID 173435427) is 1-heptyl-2-methylidenecyclopropane.
What is the SMILES notation for 1-heptyl-2-methylidenecyclopropane?
The canonical SMILES for 1-heptyl-2-methylidenecyclopropane is C=C1CC1CCCCCCC.
What is the InChIKey of 1-heptyl-2-methylidenecyclopropane?
The InChIKey is FSGSUOHATBBSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-3-4-5-6-7-8-11-9-10(11)2/h11H,2-9H2,1H3.
What are the key properties of 1-heptyl-2-methylidenecyclopropane?
1-heptyl-2-methylidenecyclopropane has a molecular weight of 152.28 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-2-methylidenecyclopropane is sourced from PubChem (CID 173435427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).