1-propoxycyclohepta-1,2-diene

C10H16O — CID 57292617

IUPAC1-propoxycyclohepta-1,2-diene
SMILESCCCOC1=C=CCCCC1
InChIInChI=1S/C10H16O/c1-2-9-11-10-7-5-3-4-6-8-10/h5H,2-4,6,8-9H2,1H3
InChIKeySHNXOJURHAQHAH-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.03
Rot. Bonds3

About 1-propoxycyclohepta-1,2-diene

1-propoxycyclohepta-1,2-diene (PubChem CID 57292617) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-propoxycyclohepta-1,2-diene.

Molecular Properties

Compound Name1-propoxycyclohepta-1,2-diene
PubChem CID57292617
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-propoxycyclohepta-1,2-diene
SMILESCCCOC1=C=CCCCC1
InChIInChI=1S/C10H16O/c1-2-9-11-10-7-5-3-4-6-8-10/h5H,2-4,6,8-9H2,1H3
InChIKeySHNXOJURHAQHAH-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 88831256
1-chlorocycloocta-1,2-diene
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di(cyclohexen-1-yl)-dipropoxysilane
CID 66598945
[(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol
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N-[(3-bromo-4-propoxyphenyl)methyl]cyclooctanamine
CID 29222775
(1E)-1-ethoxycyclodecene
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(1E)-1-ethoxycyclodecene;(1E)-1-ethoxycyclododecene;1-ethoxycycloheptene;1-ethoxycyclohexene;(1E)-1-ethoxycyclononene;(1E)-1-ethoxycyclooctene;(1E)-1-ethoxycyclotetradecene;(1E)-1-ethoxycyclotridecene;(1E)-1-ethoxycycloundecene
CID 165044943
ethane;1-methyl-2-propoxycyclohexa-1,3-diene
CID 144678708
2,3-dipropoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62731892
2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine
CID 116661260
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
CID 29222762
1-methyl-4-propoxycyclohexa-1,3-diene
CID 90360498

Frequently Asked Questions

What is the IUPAC name of 1-propoxycyclohepta-1,2-diene?
The IUPAC name of 1-propoxycyclohepta-1,2-diene (CID 57292617) is 1-propoxycyclohepta-1,2-diene.
What is the SMILES notation for 1-propoxycyclohepta-1,2-diene?
The canonical SMILES for 1-propoxycyclohepta-1,2-diene is CCCOC1=C=CCCCC1.
What is the InChIKey of 1-propoxycyclohepta-1,2-diene?
The InChIKey is SHNXOJURHAQHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-9-11-10-7-5-3-4-6-8-10/h5H,2-4,6,8-9H2,1H3.
What are the key properties of 1-propoxycyclohepta-1,2-diene?
1-propoxycyclohepta-1,2-diene has a molecular weight of 152.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxycyclohepta-1,2-diene is sourced from PubChem (CID 57292617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).