(1S)-1-methylbicyclo[4.1.0]heptane

C8H14 — CID 146784222

IUPAC(1S)-1-methylbicyclo[4.1.0]heptane
SMILESC[C@@]12CCCCC1C2
InChIInChI=1S/C8H14/c1-8-5-3-2-4-7(8)6-8/h7H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyFHFSVDXYQFWKPC-MQWKRIRWSA-N
MW110.20 g/mol
LogP2.59
Rot. Bonds

About (1S)-1-methylbicyclo[4.1.0]heptane

(1S)-1-methylbicyclo[4.1.0]heptane (PubChem CID 146784222) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (1S)-1-methylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S)-1-methylbicyclo[4.1.0]heptane
PubChem CID146784222
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(1S)-1-methylbicyclo[4.1.0]heptane
SMILESC[C@@]12CCCCC1C2
InChIInChI=1S/C8H14/c1-8-5-3-2-4-7(8)6-8/h7H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyFHFSVDXYQFWKPC-MQWKRIRWSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Carane
CID 79043
Bicyclo(4.1.0)heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-
CID 12302439
1-Methylbicyclo(4.1.0)heptane
CID 137602
7,7-Difluoro-1-methylbicyclo[4.1.0]heptane
CID 14493670
cis-Carane
CID 12302437
4-Methylspiro[2.5]octane
CID 15329636
Bicyclo[4.1.0]heptane, 2-methyl-
CID 549097
1-(Trifluoromethyl)bicyclo[4.1.0]heptane
CID 122381426
1-Methylspiro[2.5]octane
CID 9989273
7,7-Dimethylbicyclo(4.1.0)heptane
CID 11815353
Bicyclo[4.1.0]heptane, 1-(1-methylethyl)-
CID 12159649
(+)-trans-Caran
CID 12302438

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methylbicyclo[4.1.0]heptane?
The IUPAC name of (1S)-1-methylbicyclo[4.1.0]heptane (CID 146784222) is (1S)-1-methylbicyclo[4.1.0]heptane.
What is the SMILES notation for (1S)-1-methylbicyclo[4.1.0]heptane?
The canonical SMILES for (1S)-1-methylbicyclo[4.1.0]heptane is C[C@@]12CCCCC1C2.
What is the InChIKey of (1S)-1-methylbicyclo[4.1.0]heptane?
The InChIKey is FHFSVDXYQFWKPC-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H14/c1-8-5-3-2-4-7(8)6-8/h7H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of (1S)-1-methylbicyclo[4.1.0]heptane?
(1S)-1-methylbicyclo[4.1.0]heptane has a molecular weight of 110.20 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methylbicyclo[4.1.0]heptane is sourced from PubChem (CID 146784222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).